Academic Profile and Curriculum Vitae

Dr. Syed Sikander Azam | Academic CV

Academic Profile and Curriculum Vitae

Dr. Syed Sikander Azam

Professor, National Center for Bioinformatics, Quaid-i-Azam University, Islamabad. Computational biology, molecular dynamics, drug design and vaccine informatics.

Email Call Publications

Sensitive personal identifiers from the original CV are intentionally omitted for public web use.

Dr. Syed Sikander Azam portrait

Professional Information

Nationality:Pakistani
Office Address:National Center for Bioinformatics | Quaid-i-Azam University | Islamabad 45320, Pakistan
University email address:ssazam@qau.edu.pk
Language skills:English, Urdu, German, Punjabi

Career Objective

  • To join a dynamic and fast growing organization in a challenging position where my educational qualifications, research experience, exposure, hardworking drive can be fully utilized personally I am self-started, self-driven, self-disciplined, enthusiastic, loyal and committed to my employer.

CURRENT EMPLOYMENT

Sep 2021 and on: Professor at the National Center for Bioinformatics, Quaid-i-Azam University, Islamabad.
May 2017 and on: Tenured Associate Professor at the National Center for Bioinformatics, Quaid-i-Azam University, Islamabad.
April 2011 and on: Associate Professor at the National Center for Bioinformatics, Quaid-i-Azam University, Islamabad.

Publishing Credentials

Total No. of Publications121
Total Impact Factor479.7318
H-index32
Total no. of PhDs Produced11
Total no. of M.Phils. Produced75
International Awards/Certificates Received05
National Awards Received06
CredentialMS/PhD and Undergrad Teaching

Educational Background

Post-Doctoral Visit 2019:Visiting Researcher at University of Maryland, US.
Post-Doctoral Visit 2018:Visiting Researcher at University of Maryland, US.
Post-Doctoral Visit 2017:Visiting Professor at Chulalongkorn University, Bangkok Thailand.
Post-Doctoral | Visit 2015:Three Months Visit (From July to Sep) at Centre for Chemistry and | Biomedicine (CCB), Theoretical Chemistry Innrain 82, A-602
Ph.D 2009:Computational Chemistry at Theoretical Chemistry Division, University of Innsbruck, Austria.
M.Sc 2004:First Division from Department of Biotechnology, University of | Karachi, Pakistan.
B.Sc 2001:First Division from DJ Science College, University of Karachi in Chemistry, Microbiology, Biochemistry.
F.Sc 1999:First Division (Pre-medical) from DJ Science College, Board of | Intermediate Education, Karachi, Pakistan.
S.Sc 1997:First Division from Board of Secondary Education, Karachi, Pakistan.

Research Accomplishments

Doctoral Thesis:Quantum Mechanical Charge Field Molecular Dynamics Simulation of Ions in Aqueous Solution (Na+, K+,Ge2+, and Be2+)
Master Thesis:Classical and Quantum Mechanical/Molecular Mechanical Molecular Dynamic Simulations of Biologically Important Ions

Research Projects

    a) International

      Granted in 2017“Molecular Characterization and drug Design Targeting Emerging Pathogenic Bacteria of Pakistan development of an Access application for the Health Care Industry” under Pak-US Science and Technology Cooperation Program, Phase VII.
      Granted in 2014 Project granted on Exploring the Effectiveness of Natural Products against Druggable Targets from Pathogenic Bacterial Genomes, by International Foundation for Science (IFS).
      b) National
      Granted in 2011“Acquirement of Start-up Facility for Computational Studies of Tyrosinase Inhibitors” by Higher Education Commission, Pakistan.
      Granted in 2011Docking and Molecular Dynamics Simulation Studies of Alpha Glycosidase Inhibitors”, from Higher Education Commission, Pakistan.
      Granted in 2012Project granted on Molecular Dynamics Simulation Studies of Caspase from Higher Education Commission, Pakistan
      Submitted in 2014Project Submission on Computational Studies of Arsenic (III) Methyltransferase to Higher Education Commission, Pakistan.
      Granted in 2023Ongoing “Proteome-wide Characterization of Drug Targets and Efforts to Circumvent Antimicrobial Resistance in Pakistan by addressing Emerging Pathogens

        Research Experience

          2005-2006Homology Modeling, Docking, Software Installation, Simulations at Dr. Panjwani Center for Molecular Medicine and Drug Research, International Center for Chemical and Biological Sciences, University of Karachi, Karachi, Pakistan.
          2006-2009Classical MD Simulations, ab initio Quantum Mechanical and Hybrid Quantum Mechanical/Molecular Dynamics Simulations at Theoretical Chemistry Division, University of Innsbruck, Innsbruck A-6020, Austria. | Training for the Project accomplishment on Purification and Characterization of Glycine-rich Protein from Aleurone Layer of Castor Seed in master’s at the Department of Biotechnology, University of Karachi.

            Editor

            • Journal of Molecular Graphics and Modelling

            Affiliateship

            • Young Affiliate The World Academy of Sciences (TWAS)

            Membership

            • Member Asian Federation of Biotechnology (AFOB)
            • Member Pakistan Academy of Sciences
            • Member Board of Faculty, Faculty of Life Sciences, Govt. College University Faisalabad
            • Member Pakistan Society for Biochemistry and Molecular Biology (PSBMB)
            • Member Curriculum Committee of Higher Education Commission for Bioinformatics
            • Member Board of Studies Abdul Wali Khan University of Mardan, KPK.
            • Member Board of Faculty Quaid-i-Azam University, Islamabad.
            • Research Degree Examiner at University College London, United Kingdom

            Reviewer

            • Medicinal Chemistry Research (International impact factor Journal).
            • Journal of Molecular Modeling (International impact factor Journal).
            • BMC Structure Biology (International impact factor Journal)
            • Molecular Biology Reports (International impact factor Journal)
            • Journal of Molecular Graphics and Molecular Modeling (International impact factor Journal)
            • Chemical Biology and Drug Design (International impact factor Journal)
            • Letters in Drug Design and Discovery (International impact factor Journal)

            Conferences and Workshops Conducted

            • Organized Workshop on “Intellectual Proprietary Rights and its Applications in current Scientific Era” at National center for Bioinformatics, Quaid-i-Azam University, Islamabad May 24th, 2023
            • Organized Seminar on Trends in Bioinformatics, National Center for bioinformatics, Quaid-i-Azam University Islamabad, Nov 16, 2022.
            • Organized Workshop on Career Planning for the Early Career Researcher, National Center for bioinformatics, Quaid-i-Azam University Islamabad, Oct 24, 2022.
            • Organized Workshop on Explore the World of Freelancing and Online Earning through Computer Skills, National Center for bioinformatics, Quaid-i-Azam University Islamabad, March 18, 2022.
            • Organized Seminar on Registration of Intellectual Property Rights in Pakistan, ORIC and NCB, Jan 3rd , 2022.
            • “Organized 3 days Pakistan-China Genomics Workshop” 2018
            • Organizer of workshop titled, “Advances in Bioinformatics in Post Genomic Era” at National Center for Bioinformatics, Islamabad on November 6, 2014.
            • Invited Resource Person in Workshop on Proteomics and Advanced Bioinformatics at Muhammad Ali Jinnah University, Islamabad June 11-13, 2014.
            • Invited Key Lecture delivered in 2nd International Symposium on Emerging Trends in Bioinformatics at Muhammad Ali Jinnah University, Islamabad June 07, 2014.
            • Key resource person conducted lecture on Virtual Screening by Dr. Reazuddin at National Center for Bioinformatics, April 10, 2013
            • Delivered talk and poster presentations of students in National Symposium on Computational Biology in Pakistan at COMSATS Institute of Information Technology. November 8, 2012.
            • Invited Key resource person conducted sessions and lectures given in Workshop on Computational Resources for Molecular Modeling at National Center of Excellence in Physical Chemistry, University of Peshawar, March 27-29, 2012.
            • Key resource person conducted lecture on “Bioinformatics in the realm of Next Generation Sequencing” by Dr. Ahsan Huda is a Senior Scientist at NIH, Durham, North Carolina in USA. 20th January 2012
            • Invited Key resource person conducted sessions and lectures given in Training Workshop Bioinformatics Applications in Biotechnology for young Biotechnologists, FCC University Lahore, December 9-12, 2011.
            • ICSC Conference, 2009.
            • Invited Key resource person conducted sessions and lectures given in Workshop on Computational Resources for Protein Modeling organized by Institute of Biochemistry and Biotechnology(IBB) University of the Punjab, Lahore March 14-18, 2011.
            • Invited Key resource person conducted sessions and lectures given in Workshop on Bioinformatics and Proteomics organized by National Center for Proteomics, University of Karachi, and December 28-30, 2010.

            Conferences and Workshops Attended

            • Invited Speaker at International ICGEB-TYAN Workshop (online), ICGEB Trieste, Italy, Oct 11, 2022.
            • Invited Speaker at 1st international conference on Life Sciences on 10th– 11th May 2022 at Shaheed Zulfiqar Ali Bhutto Institute of Science and Technology.
            • Key Note Speaker at 1st National Hands on Workshop on Current Techniques in Bioinformatics, IMBB, University of Lahore, Jan 12, 2022.
            • Invited poster presentation at ISQBP President’s Meeting (online), The Institute of Genetics and Molecular and Cellular Biology, France, Jun8 29 to July 1, 2021.
            • Invited speaker at AASSA-PAS webinar II on Pandemics Preparedness organized by Pakistan Academy of Sciences on May 04, 2021.
            • Invited speaker at 4th International Pharmacy Conference, on October 10, 2020.
            • Invited Speaker at 7th Annual Congress of the European Society for Translational Medicine on COVID-19 (EUSTM-2020) Organized by “European Society for Translational Medicine” on topics “Vaccine and Drug Designing for COVID-19- Research and Prevention Strategies”.
            • Invited Speaker at International Webinar “Post Pandemic Higher Education Research Reshaping Strategies and Policies” organized by Directorate of Research and Post Graduate Studies, Lahore College for Women University. In 13th June 2020.
            • Invited Lecture at Bioinformatics Department Chulalongkorn on August 7, 2017.
            • Invited Speaker at “21st International Annual Symposium on Computational Science and Engineering” at NANOTECH Center, Thailand Science Park, Convention Center 0n 3-4 August 2017.
            • Key resource person and invited speaker at 21st International Annual Symposium on Computational Science and Engineering. 2017
            • Poster presentation on Austrian Chemistry Days 2015, September 21-23 Innsbruck, Austrian.
            • Attended Teaching and Research skills workshop at Department of Pharmacy, Quaid-i-Azam University Islamabad, and October 18-20, 2016.
            • Attended International Symposium on Technology Entrepreneurship and Incubation workshop at HEC Islamabad, August 19-20, 2016.
            • Participated in poster presentation in 16th Austrian Chemistry Days, University of Innsbruck, and September 21 – 24, 2015.
            • “Workshop on Proteomics and Advanced Bioinformatics”, 2014 at Mohammad Ali Jinnah University Islamabad.
            • Participated KIBGE Workshop on Planning, Execution and Accomplishment of Research Degrees at A. Q. Khan Institute of Biotechnology and Genetic Engineering, University of Karachi, Karachi April 24-26, 2014.
            • Attended with poster presentations of students in National Symposium on Computational Biology in Pakistan at COMSATS Institute of Information Technology. November 8, 2012.
            • Lectures given in Golden Jubilee celebrations of Department of Biochemistry: BioCon-2012 at University of Karachi. July 9-13, 2012
            • Attended with poster presentations of students in 10th International and 22nd National Chemistry Conference at the University of Agriculture, Faisalabad November 21-23, 2011.
            • Invited presentation delivered on Synthetic Biology in International Conference on Biosafety and Biosecurity at El-Hassan Science City, Amman, Jordan September 13-16, 2011.
            • Lectures given in Workshop on Computational Resources for Protein Modeling organized by Institute of Biochemistry and Biotechnology(IBB) University of the Punjab, Lahore March 14-18, 2011.
            • Short Presentation given in a 3-Day Workshop on Synthetic Biology and its Dual Use organized by COMSTECH, Islamabad February 3-5, 2011.
            • Lectures given in Workshop on Bioinformatics and Proteomics at National Center for Proteomics, University of Karachi, December 28-30, 2010.
            • Oral presentation in 10th Biennial Conference of Pakistan Society for Biochemistry and Molecular Biology(PSMBMB) 2010 at Abdul Qadeer Khan Institute of Biotechnology and Genetic Engineering, Karachi, December 1-5, 2010.
            • Poster presentation in 7th Thai Summer School of Computational Chemistry, 2010 in the Kasetsart University Campus, Nakhon Pathom, Thailand October 11- 14, 2010.
            • Attended 12th International Symposium on Natural Product Chemistry. 2010
            • Participation funded by a project in 8th National Workshop on Biotechnology and Genetic Engineering at National Institute of Biotechnology and Genetic Engineering (NIBGE) Faisalabad April 16-21, 2010.
            • Poster presentation in Molecular Modeling Workshop 2009 in the University of Erlangen, Germany September 6-7, 2009.
            • Poster presentation in 31st International Conference on Solution Chemistry, Innsbruck, Austria, August 21-25, 2009.
            • Participated in Annual LIFESCIENCE Meeting Innsbruck at Innsbruck, Tyrol, Austria, 2009.
            • Participated in 4th Annual CMBI meeting at Igls, Tyrol, Austria from September 28-29, 2007.
            • Participated in 10th International Symposium on Natural Products Chemistry from 6th to 9th January 2006, at HEJ Research Center, ICCS University of Karachi, Pakistan
            • Organized Workshop on Computational Chemistry and Its Applications from 26th to 28th June, 2006 at Dr. Panjwani Center for Molecular Medicine and Drug Research, ICCBS, Karachi
            • Oral presentation delivered on Visual Molecular Dynamics in Workshop on Computational Chemistry and Its Applications from 26th to 28th June, 2006 at Dr. Panjwani Center for Molecular Medicine and Drug Research, ICCS, Karachi, Pakistan.
            • Oration at 5th Hamdard Symposium 16, 17, & 18th December, 2005 Karachi of the research work conducted for obtaining Clinico–morphological characteristics of Cholecystitis.
            • Participated in 4th International Symposium of Genetic Engineering and Biotechnology on “Genomics, Bioinformatics, Biotechnology and Economic Development” held during December 4th-8th 2005 at Karachi, Pakistan.
            • Attended the workshop on Electron Microscopy at M.A.H. Qadri Biological Research Center, University of Karachi in Collaboration with NED University (April 11-13, 2005)
            • Participated in a series of lecture on Fundamentals of Immunology March 3-24, 2005.
            • Attended workshop on Strategies in Management of Chronic Obstructive Pulmonary Disease on 23rd December, 2004 at Convention Center Liaquat National Hospital Karachi.

            Patents

            • Method patent gained on AFD (Axial Frequency Distribution), 2023
            • Method patent gained on MDB (Molecular Dynamic Data Bank), 2023
            • Method patent gained on Novel Thienopyrimidines Targeting β-lactamase,2025

            Scholarships and Awards

            Received Gold Medal:PAS Gold Medal 2024, in Emerging Technologies, including Biotechnology, Nanotechnology, Bioinformatics, AI, and Data Science
            Ratchadapisek Somphot fund:Ratchadapisek Somphot fund under Ratchadapisek Somphot Fund in 2017
            Ernst Mach Follow-up Grant:Ernst Mach Follow Up Grant (EZA) from Austrian Science Foundation in 2020.
            Ernst Mach Follow-up Grant:Ernst Mach Follow Up Grant (EZA) from Austrian Science Foundation in 2015.
            Research article Reviewing Certificate:Certificate of outstanding contribution in reviewing awarded in 2014, 2017 and 2015 by Journal of Molecular Graphics and Designing.
            Research Productivity Award (3 times)RPA Awarded for 2017, 2015, 2013 by Pakistan Council for Science and Technology
            Performance based Faculty Productivity Award (2 times):Quaid-i-Azam University, 2014, 2016,2018
            Young Modeller Award (MGMS)University of Erlangen, Nurnberg, Germany in 2009.
            Intermediate ProgramDJ Alumni Foundation.
            Bachelor’s Program:Higher Education Commission formerly | University Grants Commission under | President’s Talent Farming Scheme
            Ph.D Program:Technology Grant Scholarship from ÖAD Theoretical Chemistry Division, University of | Innsbruck, Austria

            Computer Skills

            • Linux/Unix, LaTex, C++, perl etc.
            • Gaussian03, Turbomole, AMBER, Sybyl, MOE, VMD, Clustal-X, Procheck, GeneDoc, Gold, AutoDock, WebMol, PyMol, RasMol, LigandScout, Dock, FRID, Modeller , Gausview, CHIMERA, PYMOL, RASMOL, and LIGPLOT, DS etc.
            • Medical Transcription Training Course held at Department of Microbiology, University of Karachi, Pakistan in 2002.

            Past and Present Positions

            • Serving at National Center for Bioinformatics, Quaid-i- Azam University, Islamabad from April 2011.
            • Served as Assistant Professor at National Center for Proteomics, University of Karachi from January 2010 till March 2011.
            • Research Scholar at Theoretical Chemistry Division, University of Innsbruck, Austria –2006-2009
            • Research Associate at Dr. Panjwani Center for Molecular Medicine and Drug Research, International Center for Chemical and Biological Sciences, University of Karachi, Pakistan –2005-2006.
            • Served as Quality Checker (QC) and Medical Transcriptionist (MT) from 2003 till 2006 both as part time and full time in AMZ Private Limited, Karachi
            • Served as Medical Transcriptionist (MT) in Adroit Information Technology, Karachi—2002-2003.

            Students, Service and Activities

            • Awards and certificates from Board of Directorate and DJ College Karachi in Speech Contests.
            • Served voluntarily in Scout Training.
            • Ice-skating, Cricket, Music, Volley Ball, Chess, surfing etc.

            P.hD. RESEARCH STUDENTS PRODUCED (11)

            • Afifa Navid “Characterization and Bimolecular Simulations of Drug Candidates involved in Multi-Drug Resistance” 2023.
            • Ghulam Abbas “Computational and Simulation Studies to unveil Promising Drug and Vaccine Targets against the Multidrug Resistant Pathogens” 2023.
            • Nousheen Parvaiz “Structural and Dynamic Studies of Enzymes involved in Multidrug Resistant Pathogens” 2023.
            • Faisal Ahmed “Pan-genome analysis and Simulation studies to explore Potential Drug Candidates against MDR pathogens involved in Hospital Acquired Infections” 2023.
            • Naila Zaman “Characterization and Dynamics Studies of Drugs for Combating Multi-Drug Resistance” 2023.
            • Rozina Tabassum “Mining of Drud and Vaccine Candidates Against Stenotrophomonas maltophilia Using In silico Pan-proteomic Analyses” 2023.
            • Sajjad Ahmad “Deciphering the Dynamics of Therapeutic Proteins from Nosocomial Pathogens” 2020.
            • Saad Raza “Computational Studies on Inhibition Mechanism of Biologically Significant enzymes” 2018.
            • Saneela Anwar “GLI3 gene: cis-regulatory control” 2017.
            • Asma Abro “Molecular Dynamics Simulation Study of MedicinallySignificant Enzymes and Proteins” 2016.
            • Sumra Wajid Abbassi “Theoretical and Computational Structure Function Studies of Medicinally Important Proteins” 2016.

            M.Phil RESEARCH STUDENTS PRODUCED (80)

            • Aasim Zeeshan “Decoding Drug Combination Behavior from Molecular Structure: A Rigorous Machine Learning Study of Synergy in Drug Discovery” 2026.
            • Erum Anwar Wazir “A Comprehensive Computational Evaluation of FDA Approved Drugs and their Binding Trends” 2026.
            • Bakhtawar Tasawar “Dynamic Characterization Study of FDA-Approved Antibiotics Targeting Cell Wall Proteins” 2025.
            • Aqsa Amjad “Comprehensive Molecular Dynamic Simulations Study of FDA-approved Antibiotics targeting Nucleic Acid Proteins” 2025.
            • Rimsha Naz “Dynamics of Disruption in Heme utilization in Vibrio cholarae; as iron chelators on HutZ protein” 2025.
            • Khawar Saeed “Systematic Identification of Predictive Biomarkers for GSK1904529 A: A multi-omics and Molecular Dynamics approach for precision medicine of cancer” 2024.
            • Noor ul Ain “Captopril Induced Comparative Dynamics and its Role in Reversal of Antibiotics Resistance in Klebsiella pneumoniae” 2024.
            • Mahzaib Yousaf “Comparative Dynamics of clinical trial drugs as appetite stimulant for wasting syndrome” 2024.
            • Aliza Naz “In silico quest of machine learning enabled identification of potential inhibitors against MDR Achromobacter xylosoxidans” 2023.
            • Samreen Iqbal “Relational Dynamic study of Construct Mapping against Multi-Drug Resistant Aeromonas” 2023.
            • Muqadas Shah Nawaz “Comparative dynamics Study of therapeutic drug target against multi-drug resistant Elizabethkingia anophelis” 2023.
            • Raheela Majeed “Comparative Dynamics and Drug Targeting against Multidrug Resistant Bordetella Pertussis” 2023.
            • Iqra Haroon “AI Based Computational Modeling of LPS Catalysis Proteins via AlphaFold: A Computational Drug Designing Approach” 2023.
            • Iqra Aziz “Proteome wide identification of Therapeutic Drug Candidates against Alcaligenes faecalis” 2022.
            • Laraib Ghazi “Proteome Wide Exploration of Drug Candidates against Multidrug-Resistant Citrobacter freundii” 2022.
            • Asma Naz “Molecular Dynamic Simulation based Drug targeting for Multi-drug resistant Escherichia fergusonii” 2022.
            • Attiya Maqsood “Comparative Structural and Molecular Dynamic Studies of AhDdl as an Antibacterial Target” 2022.
            • Sabeeka Zafar “Comprehensive Studies of IcmR-IcmQ Heterodimer from Legionella pneumophila as Anti-bacterial Target” 2022.
            • Kiran Fatima “Drug targeting against spa15 of multi drug resistant shigella flexneri through molecular dynamics simulation” 2022.
            • Arsum Ali “Drug Targeting Against hldD of Multi-Drug Resistant Raoultella terrigena Through Molecular Dynamic Simulation Studies” 2022.
            • Yasir Akbar “Computational studies of Anti-Staph Afabicin and T3SS of Yersinia for drug design” 2021.
            • Kainat Gul “Structural and Dynamics of novel candidates of anti-anemia PHD2 and anti-bacterial CoaD” 2021.
            • Rimsha Yousaf “Comprehensive Molecular Dynamics studies of GlmU along with anti-tumor Telaglenastat” 2021.
            • Fouzia Gul “Structural and Molecular Dynamics of Lanifibranor as anti-NASH drug and Isocitrate Lyase as antibacterial target” 2021.
            • Laila Gul “Molecular Dynamics Simulation of Anti-Cancer Diprovocim and TagAas an Anti-bacterial Target” 2020.
            • Saba Ismail “Towards Rational Vaccine and Drug Design for Enterbacter Cloace: An etiological agent of multiple nosocomial infection” 2020
            • Zahra Akhtar “Structural and Dynamic of Palbociclib as Anti=Cancer and DegU as Anti-bacterial Target”. 2020
            • Tayyaba Gulistan: “structural and dynamic Studies of Anti-inflammatory Risankizumab and Anti-Bacterial KdsC”. 2020
            • Ammara Mushtaq “Comprehensie Simulation studies of Anti-Cancerous Sacituzumab Govitecan and Anti-bacterial DrugTarget DesR” 2020.
            • Kinza Khurram “Proteome-wide Characterization to Identify Vaccine and Drug Candidates against Haemophilus Influenzae; A Major Cause of Respiratory Diseases”. 2019
            • Zahra Shahzadi “Identification and Simulation Studies of Potential Inhibitors against Clostridium Difficile and Entamoeba Histolytica: Etiological agents of Global Diarrhea” 2019.
            • Azka Amed “Identification of Potential Drug Targets and Simulation Studies of an Emerging Nosocomial Uropathogen: Providencia Rettgeri ”.2019
            • Maham Shabaz “In silico Quest for Potential Drug Target Identification against Mite-Borne Bacterium: Orientia Tsutsugamushi”.2019
            • Zartasha Shabaz “Subtractive Proteomic Approach for Drug Target Identification and Elucidation of Natural Inhibitors against Legionella Longbeachae Followed by Molecular Dynamics Simulation Studies”
            • Rida Sajjad “Designing a Multi-Epitope Vaccine for Acinetobacter Nosocomialis: A Combined subtractive Proteomics and Immunoinformatics Approach”. 2019.
            • Asma Nazar “Deciphering the Inhibition Mechanism of Trials HSP90 Inhibitors and their Analogues: A Comparative Molecular Dynamics Simulations”. 2019.
            • Muhammad Talal Amin “Identification and Classification of Repeat Elements in Whole Genome Sequence Assemblies of Fish”. 2018.
            • Dur-e-Zahra “Exploration of Drugs target against Campylobacter Jejuni using combinatorial approach of Subtractive Proteomics Molecular Docking and Molecular Dynamics Simulation” 2018.
            • Bilal Shaker “Elucidation and Screening of Plausible Drug Targets against UDP-N-acetyl glucosamine Acetyltransferase (LpxA) of Klebsiella Pneumoniase subspecie pneumoniae HS11286” 2018.
            • Anita Zaib “An integrated Computational Approach for Identification of Potential Drug Candidates agaist Elizabethkingia Meningosepticum” 2018.
            • Iqra “Sturctural Based Virtual Screening Binding Free Energy Calculation of ATP Binding Site Inhibitors against MurE ligasefrom Acinetobacter Baumannii” 2018.
            • Uzair Ali Murtaza “Proteome Mining for Plausible Drug Targets Against Multi-Drug Resistant Klebsiella michiganensis”.
            • Naima malik “Identification of Potential Drug Candidates in the Druggable Proteome of Francisella tularensis through Subtractive Proteomics Approach” 2018.
            • Tayyaba “Proteome wide Identification of Therapeutic Drug Candidates against Klebsiella Variicola” 2018
            • Komal Aslam “ Explorationa of Drugable Genome of Campylobacter coli to Identify Drugable Targets” 2018
            • Shehneela Baseer “Proteome mining for characterizing drug and vaccine target against multidrug resistant Shigella sonnei” 2017
            • Zunera Khalid “ Proteome wide Identification of Putative Drug and Vaccine against Multi-drug resistant Corynebacterium diphtheria” 2017
            • Nosheen Ehsan “Exploring Drug and Vaccine Targets against Proteus mirabilis: A Major Cause of Urinary Tract Infection” 2017
            • Yalda Asad “Proteome-wide Exploration for Drug and Vaccine Targets Against MDR Providencia Stuartii: An Etiological Agent of Purple Urine Bag Syndrome” 2017
            • Qurat-ul-Ain “An Integrated Approach for the Identification of Vaccine and Drug Targets Against Multi-Drug Resistant Yersinia enterocolitica” 2017
            • Ghulam Abbas “Subtractive Genome Analysis for the Identification of Potential Drug Targets in Vibrio Vulnificus: An Emerging Halophilic pathogen” 2017
            • Mawra Irshad “Exploring the Druggable Genome of Enterobacter Cloacae Through Subtractive Genomics Approach and Characterization of the Novel Drug Targets & quot” 2017
            • Farhan ul haq “Comparative Study of Beta-lactamase Resistance in Human Pathogens due to NDM-I using Molecular Dynamics Simulations” 2016
            • Gul Sanober Investigation of The Druggable Genome of Multi-Drug Resistant Staphylococcus epidermids to Identify and Characterize Plausible Drug Target” 2016
            • Sundus Iqbal “Exploration of Druggable Genome in Multi-Drug Resistant Yersinia pestis for the Identification of Therapeutic Drugs” 2015
            • Noor Ul Ain Sajid Mughal “In silico Identification of Potential Therapeutic Targets from Various Pathways of Human Pathogen: Klebsiella pneumoniae” 2015
            • Fozia Shaheen “Characterization of Druggable Genome and Identification of Putative Drug Targets in Multi-Drug Resistant Cronobacter sakazakii” 2015
            • Iqra Ahmad “Characterization of Druggable Genome and Proteome-Wide Identification of Potential Therapeutic Candidates in Human Pathogen: Vibrio cholera” 2015
            • Sanum Javed Khan “Identification of potential drug targets from multidrug resistant pathogen Streptococcus agalactiae” 2015
            • Nimra Sabir “Investigation of druggable genome and drug target identification for Klebsiella oxytoca through computational studies” 2015
            • Seemab Khurshid “Identification of Novel Drug Targets by Exploring the Druggable Genome of Vibrio parahaemolyticus” 2015
            • Hira Jabeen “Exploration and the identification of potential drug targets in multi-drug resistant Human Pathogen Staphylococcus aureus” 2015
            • Anum Khalid “Investigation of Druggable Genome and Drug Target Identification for Serratia marcescens Through Computational Studies” 2014
            • Iqra Shehzadi “Identification of Drug Targets By Investigating the Druggable Genome of Clinical Pathogen and Multi-Drug Resistant Bacteroides fragilis” 2014
            • Saba Hassan “In silico Exploration of Druggable Genome of Vancomycin Resistant Enterococcus Faecium for the Identification of Therapeutic Drugs” 2014
            • Amina Saleem Akhtar “Characterization of Druggable Genome and the Identification of the Putative drug Targets in the Multi-drug Resistant Klebsiella pneumoniae ” 2014
            • Farya Tanvir ”In silico Integrative Approach to Identify Druggable Candidates in Acinetobacter baumannii: An Emerging Multi-drug Resistant Pathogen” 2014
            • Mah-Laka “In silico Identification of potential Therapeutic Targets from different Metabolic Pathways of Human Pathogen Aggregatibacter aphrophilus” 2014
            • Syeda Marzia Zehra Rizvi “Identification of potential therapeutic targets from variuos metabolic pathways in White Plague Pathogen: Mycobacterium tuberculosis” 2014
            • Nousheen Parvaiz “Proteome-wide Identification of Potential Therapeutic Targets in Human S. lugdunensis” 2014
            • Amen Shamim “In silico exploration of druggable genome of Streptococcus gordonii for the identification of therapeutic drugs” 2014
            • Nida Khalid “Investigation of druggable genome for Streptococcus sanguinis SK36 through various computational tools” 2014
            • Maria Batool “Investigation of druggable genome for Staphylococcus aureus JH9 Vancomycin resistant strain through computational studies” 2014
            • Sara Sarfaraz “Molecular modeling and comparative dynamic studies of myo inositol-1-phosphate synthase” 2013
            • Shifa Tahir “Molecular modeling and molecular dynamics simulation studies of amidophosphoribosyl transferase” 2013
            • Mirza Ahmed Hammad ul Mubeen Muhammad “Comparative molecular dynamics simulations studies of Wnt-4 protein” 2013
            • Muhammad Jan Akhunzada “Computational genomics and structural dynamics studies of glycosyl transferases” 2012
            • Saad Raza “Comparative modeling and molecular dynamics simulation studies of cerebral proteins” 2012
            • Naila Zaman “Molecular dynamics simulation studies of medicinally and industrially important enzymes” 2012
            • Ayman Saroosh “Comparative molecular modeling and dynamics studies of transferases” 2012
            • PhD RESEARCH STUDENTS ACCEPTED IN IRSIP
            • Mr. Faisal Ahmad was selected under the International Research Support Initiative Program (IRSIP) by Higher Education Commission of Pakistan to attend Georgia Tech University, United States in 2022.
            • Mr. Ghulam Abbas was selected under the International Research Support Initiative Program (IRSIP) by Higher Education Commission of Pakistan to attend Harvard University, United States in 2022.
            • Mr. Sajjad Ahmad was selected under the International Research Support Initiative Program (IRSIP) by Higher Education Commission of Pakistan to attend Harvard University, United States in 2018.
            • Mr. Saad Raza was selected under the International Research Support Initiative Program (IRSIP) by Higher Education Commission of Pakistan to attend Bristol University, United Kingdom in 2015.
            • Ms. Sumra Wajid Abbasi and Ms. Asma Abro were selected under the International Research Support Initiative Program (IRSIP) by Higher Education Commission of Pakistan to attend King’s College London, United Kingdom in 2014.

            Research Publications

            2025

            1. Batool, S.; Farid, R.; Azam, S. S.; Hassan, A. Design, Synthesis, and Evaluation of β-Lactamase Inhibitors as Potential Therapeutics for Antimicrobial Resistance. ACS Omega 2025, acsomega. doi:10.1021/acsomega.5c10798
            2. Zaman, N., Gul, K., Khurram, K. et al. Molecular insights into pangenome localization and constructs design for Hemophilus influenza vaccine. Sci Rep 15, 22316 (2025). doi:10.1038/s41598-025-03536-0

            2024

            1. Faisal Ahmad, Saba Ismail & Syed Sikander Azam (2024) Discovery of novel inhibitor via molecular dynamics simulations against D-alanyl-D-alanine carboxypeptidase of Enterobacter cloacae, Journal of Biomolecular Structure and Dynamics, doi:10.1080/07391102.2024.2316790
            2. Aliza Naz, Fouzia Gul, Syed Sikander Azam (2024) Recursive dynamics of GspE through machine learning enabled identification of inhibitors,Computational Biology and Chemistry. doi:10.1016/j.compbiolchem.2024.108217

            2023

            1. Parvaiz, N., Abro, A., & Azam, S. S. (2022). Three-state dynamics of zinc(II) complexes yielding significant antidiabetic targets. Journal of molecular graphics & modelling, 127, 108665. doi:10.1016/j.jmgm.2023.108665
            2. Zaman, N., Parvaiz, N., Gul, F. et al. Dynamics of water-mediated interaction effects on the stability and transmission of Omicron. Sci Rep 13, 20894 (2023). doi:10.1038/s41598-023-48186-2
            3. F Ahmad, N Parvaiz, AD MacKerell Jr, SS Azam (2023) Non-β Lactam Inhibitors of the Serine β-Lactamase blaCTX-M15 in Drug-Resistant Salmonella typhi, Journal of Chemical Information and Modeling 63 (21), 6681-6695 doi:10.1021/acs.jcim.3c00780
            4. Yousaf, H., Naz, A., Zaman, N., Hassan, M., Obaid, A., Awan, F. M., & Azam, S. S. (2023). Immunoinformatic and reverse vaccinology-based designing of potent multi-epitope vaccine against Marburgvirus targeting the glycoprotein. Heliyon, 9(8), e18059. doi:10.1016/j.heliyon.2023.e18059
            5. Zaman, N., & Azam, S. S. (2023). Discrete Dynamics of Warhead Modulation on Covalent Inhibition of Oxyr: A QM/MM Study. The Journal of Physical Chemistry B 2023 127 (27), 5993-6005 doi:10.1021/acs.jpcb.2c07376
            6. Gul F, Parvaiz N, Azam SS (2023) Deciphering the relational dynamics of AF-2 domain of PAN PPAR through drug repurposing and comparative simulations. PLOS ONE 18(3): e0283743. doi:10.1371/journal.pone.0283743
            7. Zaman, N., Yousaf, R., Akhtar, Z., & Azam, S. S. (2023). Modulating structural dynamics of dual drugs for CDK4 complex addressing prostate cancer. Journal of Molecular Liquids, 376, 121454. doi:10.1016/j.molliq.2023.121454
            8. Parvaiz, N., Shahbaz, M., & Azam, S. S. (2023). Journal of Molecular Graphics and Modelling Role of hinge motion and ATP dynamics in factors for inversion stimulation FIS protein deduced while targeting drug resistant Orientia tsutsugamushi. Journal of Molecular Graphics and Modelling, 120(September 2022), 108425. doi:10.1016/j.jmgm.2023.108425
            9. Zaman, N., & Azam, S. S. (2022). Quantum Dynamics and Bi Metal Force Field Parameterization Yielding Significant Antileishmanial Targets. Journal of Chemical Information and Modeling. doi:10.1021/acs.jcim.2c01100
            10. Gul, K., Zaman, N., & Azam, S. S. (2023). Journal of Molecular Graphics and Modelling Roxadustat and its failure : A comparative dynamic study. Journal of Molecular Graphics and Modelling, 120(November 2022), 108422. doi:10.1016/j.jmgm.2023.108422
            11. Sanachai, K., Mahalapbutr, P., Tabtimmai, L., & Seetaha, S. (2023). In Silico and In Vitro Study of Janus Kinases Inhibitors from Naphthoquinones.

            2022

            1. Zaman, N., Parvaiz, N., Farid, R., Navid, A., Abbas, G., & Azam, S. S. (2022). Senna makki and other active phytochemicals: Myths and realities behind covid19 therapeutic interventions. Plos one, 17(6), e0268454.
            2. Ghufran, M., Rehman, A. U., Ayaz, M., Ul-Haq, Z., Uddin, R., Azam, S. S., & Wadood, A. (2022). New lead compounds identification against KRas mediated cancers through pharmacophore-based virtual screening and in vitro assays. Journal of Biomolecular Structure and Dynamics. 1-15.
            3. Yousaf R1., Navid A1, Azam S.S. (2022) Discovery of novel Glutaminase allosteric inhibitors through drug repurposing and comparative MMGB/PBSA and molecular dynamics simulations. Computational Biology and Medicine. 146. 105669.
            4. Javed, N., Ahmad, S. ., Raza, S. ., & Azam, S. S. . (2021). Subtractive Proteomics Supported with Rational Drug Design Approach Revealed ZINC23121280 as a Potent Lead Inhibitory Molecule for Multi-drug Resistant Francisella tularensis: Drug Designing for Multidrug-Resistant Francisella tularensis. Proceedings of the Pakistan Academy of Sciences: Part B (Life and Environmental Sciences), 58(1), 1–42. doi:10.53560/PPASB(58-1)349
            5. Andleeb, S., Rauf, M. K., Azam, S. S., Haq, I. U., Tahir, M. N., & Zaman, N. (2022). Structural characterization and antileishmanial activity of newly synthesized organo-bismuth (V) carboxylates: experimental and molecular docking studies. JBIC Journal of Biological Inorganic Chemistry, 27(1), 175-187.
            6. Abdul Wadood, Amar Ajmal, Muhammad Junaid, Ashfaq Ur Rehman, Reaz Uddin, Syed Sikander Azam, Alam Zeb Khan, Asad Ali. (2022) Machine Learning-based Virtual Screening for STAT3 Anticancer Drug Target. Current Pharmaceutical Design. 28(36). 3023 – 3032.

            2021

            1. Tabassum R., Abbas G, Azam S.S*. (2021) Immunoinformatics based designing and simulation of multi-epitope vaccine against multi-drug resistant Stenotrophomonas maltophilia. Journal of Molecular Liquids.340. 116899. doi:10.1016/j.molliq.2021.116899
            2. Navid A., Ahmed S., Sajjad R., Raza S., Azam S.S*. (2021). Structure Based in Silico Screening Revealed a Potent Acinetobacter baumannii Ftsz Inhibitor from Asinex Antibacterial Library. IEEE Transactions on Computational Biology and Bioinformatics
            3. Parvaiz N, Ahmad F, Yu W, MacKerell Jr. A. D, Azam S. S*. (2021). Discovery of beta-lactamase CMY-10 inhibitors for combination therapy against multi-drug resistant Enterobacteriaceae. PloS ONE. doi:10.1371/journal.pone.0244967
            4. Abbas, S., Mehmood, M., Rauf, M. K., Azam, S. S., Haq, I. U., Tahir, M. N., & Parvaiz, N. (2021). Synthesis, structural characterization, and molecular docking studies of bioactive bismuth (III) complexes with substituted hydrazones. Journal of Molecular Structure. 1230, 129870.
            5. Ahmed A, Zaman N, Azam, S. S*. (2021). Deciphering the role of sulfonamides and molecular basis of thioredoxin domain dynamics through comparative simulations. Journal of Molecular Liquids. 321: 114797. doi:10.1016/j.molliq.2020.114797

            2020

            1. Uddin R*, Siraj B, Rafi S, Azam S.S., Wadood A. (2020).Structure-Based Virtual Screening Approach for the Discovery of Potent Inhibitors of Aminoglycoside 6′-N-Acetyltransferase Type Ib [AAC(6′)-Ib] against K. pneumoniae Infections. Letters in Drug Design & Discovery. 17:(8). doi:10.2174/1570180817666200108095912
            2. Mehmood M, Din I. U., Abbas S, Azam S. S., Haq I. U., Tahir M. N., Parvaiz N., Din A.T.U. (2020). Bioactive heteroleptic Bismuth(V) carboxylates: Synthetic Stratagem, characterization and binding pattern validation. Journal of Organometallic Chemistry. 921: 121357. doi:10.1016/j.jorganchem.2020.121357
            3. Ahmad H, Ahmad F, Parveen S,Ahmad S, Azam S. S*, and Hassan A*. (2020). A combine approach of chemical synthesis, biological evaluation and structural dynamics studies revealed thiazole substituted arylamine derivatives as potent FabH enzyme inhibitors. Bioorganic Chemistry. 105: 104426 doi:10.1016/j.bioorg.2020.104426
            4. Nazar A, Abbas G, Azam S.S*. (2020). Deciphering the Inhibition Mechanism of under Trial Hsp90 Inhibitors and Their Analogues: A Comparative Molecular Dynamics Simulation. J. Chem. Inf. Model. 60:8, 3812–3830. doi:10.1021/acs.jcim.9b01134
            5. Ahmad F, Azam S.S*. (2020) Role of ring positioning and preferential occupation of ligand obtained through molecular dynamics simulation of peptidoglycan associated lipoprotein (Pal). Journal of Molecular Graphics and Modelling. 98:107585. doi:10.1016/j.jmgm.2020.107585
            6. Shahzadi Z, Abbas G, Azam S.S*. (2020) Relational dynamics obtained through simulation studies of thioredoxin reductase: From a multi-drug resistant Entamoeba histolytica. Journal of Molecular Liquids. 307: 112939. doi:10.1016/j.molliq.2020.112939
            7. Ismail S, Ahmad S, Azam S. S*. (2020) Immunoinformatics characterization of SARS-CoV-2 spike glycoprotein for prioritization of epitope based multivalent peptide vaccine. Journal of Molecular Liquids. 314: 113612. doi:10.1016/j.molliq.2020.113612
            8. Gulistan T, Ahmad S, Azam S. S*. (2020) Conformational transition of Acinetobacter baumannii KdsC enzyme and the role of magnesium in binding: An insight from comparative molecular dynamics simulation and its implications in novel antibiotics design. Journal of Molecular Graphics and Modelling. 99:107625. doi:10.1016/j.jmgm.2020.107625
            9. Ahmad, F., Shabaz, Z. & Azam, S.S*. (2020) Insight into natural inhibitors and bridging docking to dynamic simulation against sugar Isomerase (SIS) domain protein. J Mol Model 26, 221. doi:10.1007/s00894-020-04475-5
            10. Ahmad S, Navid A, Farid R, Abbas G, Ahmad F, Zaman N, Parvaiz N, Azam S. S*. et al. Design of a Novel Multi Epitope-Based Vaccine for Pandemic Coronavirus Disease (COVID-19) by Vaccinomics and Probable Prevention Strategy against Avenging Zoonotics. Eur J Pharm Sci. 2020;151:105387. doi:10.1016/j.ejps.2020.105387
            11. Ismail S, Ahmad S, Azam S.S*. (2020). Vaccinomics to design a novel single chimeric subunit vaccine for broad-spectrum immunological applications targeting nosocomial Enterobacteriaceae pathogens, Eur J Pharm Sci. 146:105258. doi:10.1016/j.ejps.2020.105258
            12. Abbas G, Zafar I, Ahmad S, Azam S. S*. (2020). Immunoinformatics design of a novel multi-epitope peptide vaccine to combat multi-drug resistant infections caused by Vibrio vulnificus. Eur J Pharm Sci. 142:105160. doi:10.1016/j.ejps.2019.105160
            13. Sajjad, R., Ahmad, S., and Azam, S.S*. (2020). In silico screening of antigenic B-cell derived T-cell epitopes and designing of a multi-epitope peptide vaccine for Acinetobacter Nosocomialis. Journal of Molecular Graphics and Modelling. 94. 107477. doi:10.1016/j.jmgm.2019.107477
            14. Zaman N., Azam S.S.*, (2020). From normal to competo-allosteric regulation: insights into the binding pattern dynamics of DSPI protein of Pseudomonas aeruginosa. Journal of Biomolecular Structure and Dynamics. doi:10.1080/07391102.2020.1711805

            2019

            1. Khan S. I, Ahmad S., Altaf A.A., Rauf M. K., Badshah A, Azam S.S.*, Tahir M. N., (2019). Heteroleptic copper(i) halides with triphenylphosphine and acetylthiourea: synthesis, characterization and biological studies (experimental and molecular docking), New Journal of Chemistry 43(48) doi:10.1039/C9NJ03005K
            2. Uddin, R., Siddiqui, Q.N., Sufian, M. Azam S.S., Wadood, A., (2019). Proteome-wide subtractive approach to prioritize a hypothetical protein of XDR-Mycobacterium tuberculosis as potential drug target. Genes Genomics. 41. 1281–1292 doi:10.1007/s13258-019-00857-z
            3. Andleeb, S, Din, I., Rauf, M.K., Azam, S. S., Haq, I., Tahir, M. N., Ahmad, S. (2019). Bioactive Heteroleptic Bismuth (V) Complexes: Synthesis, Structural Analysis and Binding Pattern Validation. Applied Organometallic Chemistry. 33: e5061. doi:10.1002/aoc.5061
            4. Raza, S., Ranaghan, K.E., van der Kamp, M.W. Woods, C.J., Mulholland A.J., Azam, S.S*.(2019) Visualizing protein–ligand binding with chemical energy-wise decomposition (CHEWD): application to ligand binding in the kallikrein-8 S1 Site. Journal of Computer Aided Molecular Design.33: 461.
            5. Raza, S., Abbas, G., Azam, S.S.* (2019). Screening Pipeline for Flavivirus based inhibitors for Zika Virus NS1. IEEE/ACM Transactions on Computational Biological Bioinformation. PP99:1-1
            6. Ahmed S., Ranaghan, K.E. Azam, S.S*. (2019) Combating tigecycline resistant Acinetobacter baumannii: A leap forward towards multi-epitope based vaccine discovery. European Journal of Pharmaceutical Sciences. 132, 1-1
            7. Ahmad, S., Murtaza, U.A. Raza S., Azam, S.S*. (2019) Blocking the catalytic mechanism of MurC ligase enzyme from Acinetobacter baumannii: An in Silico guided study towards the discovery of natural antibiotics. Journal of Molecular Liquids. 281. 117-133.
            8. Uddin, R.*, Zahra, N., Azam S.S. (2019) Identification of Glucosyl-3-Phosphoglycertae Phosphatase as a Novel Drug Target against Resistant Strain of Mycobacterium tuberculosis (XDR1219) by using Comparative Metabolic Pathway Approach. Comput Biol Chem. 79:91-102
            9. Uddin R*, Masood F, Azam SS, Wadood A. Identification of putative non-host essential genes and novel drug targets against Acinetobacter baumannii by in silico comparative genome analysis. Microb Pathog. 2019;128:28–35. doi:10.1016/j.micpath.2018.12.015

            2018

            1. Saleem L, Altaf A. A.,* Badshah A., Rauf M. K., Waseem A., Danish M., Azam S.S., Arshad M. N., Asiria A., M., Ahmad S., Gul R. (2018). Structural Investigations, Anti-Leishmanial, Antibacterial and Docking Studies Of New Pentavalent Antimony Carboxylates. Inorganica Chimica Acta.474:148-155
            2. Larik, F. A., Saeed, A.*, Faisal, M., Channar, P. A., Azam, S. S., Ismail, H., Dilshad, E., Mirza, B. (2018) Sythesis, Molecular Docking and Comparative efficacy of various alkyl/aryl thioureas as antibacterial, antifungal and α-amylase inhibitors. Computational Biology and Chemistry. 77: 193-198.
            3. Ahmad, S., Shaker, B., Ahmad, F., Raza, S., Azam, S. S*. (2018) Molecular dynamics simulation revealed receiver domain of Acinetobacter Baumannii BfmR enzyme as the hot spot for future antibiotics designing. Journal of Biomolecular structure and Dynamics.
            4. Ehsan N., Ahmad S., Navid A., Azam S.S*. (2018) Identification of potential antibiotic targets in the proteome of multi-drug resistant Proteus mirabilis. Meta Gene.18: 167-173
            5. Ain, Q., Ahmad, S., Azam, S.S.* (2018) Subtractive proteomics and immunoinformatics revealed novel B-cell derived T-cell epitopes against Yersinia enterocolitica: An etiological agent of Yersiniosis. Microbial Pathogenesis. 125: 336-348.
            6. Sajjad W, Ahmad S, Aziz I, Azam SS, Hasan F, Shah AA*. (2018) Antiproliferative, antioxidant and binding mechanism analysis of prodigiosin from newly isolated radio-resistant Streptomyces sp. strain WMA-LM31. Mol Biol Rep. 45(6):1787–1798. doi:10.1007/s11033-018-4324-3
            7. Raza, S., Azam, S.S.*, (2018) AFD: an application for bi-molecular interaction using axial frequency distribution. Journal of Molecular Modelling. 24(4): 84
            8. Parvaiz N., Abbasi, S.W., Uddin, R., Azam S.S*. (2018) Targeting isoprenoid biosynthesis pathway in Staphylococcus lugdunesis: Comparative docking and Simulation studies of conventional and allosteric sites.
            9. Ehsan, N., Ahmad, S., Azam, S. S.*, Rungrotmongkol, T., Uddin, R.(2018) Proteome-wide identification of epitope-based vaccine candidates against multi-drug resistant Proteus mirabilis. Biologicals. 55:27-37
            10. Ahmad, S., Raza, S., Ain, Q., Uddin, R.,Rungrotmongkol, T., Azam., S. S.* (2018) From phylogeny to protein dynamics: A computational hierarchical quest for potent drug identification against an emerging enteropathogen “Yersinia enterocolitica”. Journal of Molecular Liquids. 265: 372-389.
            11. Ahmad, S., Baseer, S., Navid, A., Ahmad, F., Azam, S. S*. (2018) An integrated computational hierarchy for identification of potent inhibitors against Shikimate Kinase enzyme from Shigella sonnei, a major cause of global dysentery. Gene Reports. 11: 283-293.
            12. Azam, S. S.*, Ahmad, S.*, Navid, A., Sajid, N., Ahmed, I., Wadood, A. et. al., (2018) Implications of sequence conservation patterns of serpin B family leading to structural and functional importance. Gene Reports. 12: 30-38.
            13. Ahmad, S., Azam, S. S*. (2018) A Novel Approach of Virulome Based Reverse Vaccinology For Exploring and Validating Peptide-Based Vaccine Candidates Against the Most Troublesome Nosocomial Pathogen: Acinetobacter baumannii. Journal Molecular Graphics and Modelling. 83:1-11.
            14. Ahmad, S., Navid, A., Akhtar, A.S., Azam, S.S.*, Wadood, A., Pérez-Sánchez, H. (2018). Subtractive genomics, molecular docking and molecular dynamics simulation revealed LpxC as a potential drug target against multi-drug resistant Klebsiella pneumonia. Interdiscip Sciences. 1-19.
            15. Ahmad, S., Raza, S., Abbasi, S. W., Azam, S. S*. (2018) Identification of natural inhibitors against Acinetobacter baumanniid-alanine-d-alanine ligase enzyme: A multi-spectrum in silico approach. Journal of Molecular Liquids. 262: 460-475.
            16. Khalid, Z., Ahmad, S., Raza, S., Azam, S. S*. (2018) Subtractive proteomics revealed plausible drug candidates in the proteome of multi-drug resistant Corynebacterium diphtheria. Meta Gene. 17:34-42
            17. Ahmad, S., Raza, S., Abro, A., Liedl, K.R., Azam, S. S*. (2018) Towards novel inhibitors against KdsB: A highly specific and selective broad-spectrum bacterial enzyme. Journal of Biomolecular Structure and Dynamics. 18: 1-20
            18. Ahmad, S., Raza, S., Uddin, R., Azam, S. S*. Comparative subtractive proteomics based ranking for antibiotic targets against the dirtiest superbug: Acinetobacter baumannii. Journal of molecular Graphics and Modelling. 82:74-92.
            19. Asad, Y., Ahmed, S., Rungrotmongkol, T., Ranaghan, K. E., Azam, S. S*. (2018) Immuno-informatics driven proteome-wide investigation revealed novel peptide-based vaccine targets against emerging multiple drug resistant Providencia stuartii. Journal of Molecular Graphics and modeling. 80:238-250.
            20. Uddin, R.*, Siddiqui, Q. N., Azam, S. S., Saima, B., Wadood, A. (2018) Identification and characterization of potential druggable targets among hypothetical proteins of extensively drug resistant Mycobacterium tuberculosis (XDR KZN 605) through subtractive genomics approach. European Journal of Pharmaceutical Sciences. 114:13-23.
            21. Wadood, A., Ghufran, M., Khan, A., Azam, S. S., Jelani, M., Uddin, R*. (2018) Selective glycosidase inhibitors: a patent review (2012-present). International Journal of Biological Macromolecules. 111:82-91

            2017

            1. Waood, A.*, Jamal, A., Riaz, M., Khan, A., Uddin, R., Jelani, M., Azam S. S. (2017). Subtractive Genome analysis for in silico identification and characterization of novel drug targets in Streptococcus pneumonia strain JJA. Microbial Pathogenesis, 115, 194-198.
            2. Baseer, S., Ahmad, S., Ranaghan, K. E., Azam, S. S*. (2017). Towards a peptide-based vaccine against Shigellasonnei: A subtractive reverse vaccinology based approach. Biologicals. 50:87-99
            3. Ahmad, S., Raza, S., Uddin, R., Azam, S. S.* (2017). Binding mode analysis, dynamic simulation and binding free energy calculations of the MurF ligase from Acinetobacter baumannii. Journal of Molecular Graphics and Modelling, 77, 72-85.
            4. Raza, S., Sanober, G., Rungrotmongkol, T., Azam, S. S.* (2017). The Vitality of Swivel Domain Motion in Performance of Enzyme I of Phosphotransferase System; A Comprehensive Molecular Dynamic Study. Journal of Molecular Liquids, 242, 1184-1198.
            5. Wadood, A., Khan, H., Ghufran, M., Hassan, H., Shams, S., Khan, A., Azam, S. S. Uddin, R. (2017). Structure-Based Development of New and Potent Inhibitors of PIM Kinases: A Computational Study. Journal of the Chemical Society of Pakistan. 39(1).
            6. Wadood, A.*, Ghufran, M., Khan, A., Azam, S. S., Uddin, R., Waqas, M., &Saleem, S. (2017). The methicillin-resistant S. epidermidis strain RP62A genome mining for potential novel drug targets identification. Gene Reports.
            7. Uddin, R.*, Tariq, S. S., Azam, S. S., Wadood, A., &Moin, S. T. (2017). Identification of Histone Deacetylase (HDAC) as a drug target against MRSA via interolog method of protein-protein interaction prediction. European Journal of Pharmaceutical Sciences.
            8. Sanober, G., Ahmad, S., &Azam, S. S.* (2017). Identification of plausible drug targets by investigating the druggable genome of MDR Staphylococcus epidermidis. Gene Reports, 7, 147-153.
            9. Haq, F. U., Abro, A., Raza, S., Liedl, K. R., &Azam, S. S.* (2017). Molecular dynamics simulation studies of novel β-lactamase inhibitor. Journal of Molecular Graphics and Modelling, 74, 143-152.

            2016

            1. Iqbal, S., Shamim, A., Azam, S. S.*, &Wadood, A. (2016). Identification of potent inhibitors for chromodomain-helicase-DNA-binding protein 1-like through moleculardocking studies. Medicinal Chemistry Research, 25(12), 2924-2939.
            2. Abro, A., &Azam, S. S*. (2016). Binding free energy based analysis of arsenic (+ 3 oxidation state) methyltransferase with S-adenosylmethionine. Journal of Molecular Liquids, 220, 375-382.
            3. Abbasi, S., Raza, S., Azam, S. S.*, Liedl, K. R., & Fuchs, J. E. (2016). Interaction mechanisms of a melatonergic inhibitor in the melatonin synthesis pathway. Journal of Molecular Liquids, 221, 507-517.
            4. Zawawi, N. K. N. A, Taha, M.*, Ahmat, N.*, Wadood, A., Ismail, N. H, Rahim, F., Azam, S. S., Abdullah, N., (2016). Benzimidazole derivatives as new α-glucosidase inhibitors and in silico studies. Bioorganic chemistry, 64, 29-36.
            5. Cerón-Carrasco, J.P.*, Coronado-Parra, T.*, Imbernón-Tudela, B., Banegas-Luna, A.J., Ghasemi, F., Vegara-Meseguer, J.M., Luque, I., Azam, S.S., Trædal-Henden, S. and Pérez-Sánchez, H., (2016). Application of Computational Drug Discovery Techniques for Designing New Drugs against Zika Virus. Drug Designing: Open Access, 2016.
            6. Andleeb S., Imtiaz-ud-Din*, Rauf M. K.*, Azam, S.S., Badshah, A., Sadaf H., Raheel A., Tahir M. N., and Raza S. (2016). A one-pot multicomponent facile synthesis of dihydropyrimidin-2 (1 H)-thione derivatives using triphenylgermane as a catalyst and its binding pattern validation. RSC Advances, 6(83), 79651-79661.
            7. Uddin, R.*, Azam, S. S., Wadood, A., Khan, W., Farooq, U., & Khan, A. (2016). Computational identification of potential drug targets against Mycobacterium leprae. Medicinal Chemistry Research, 25(3): 473-481.
            8. Khan, H., Nadhman, A.*, Azam, S. S., Anees, M.*, Khan, I., Ullah, I., Yasinzai, M. (2017). In‐vitro antileishmanial potential of peptide drug hirudin. Chemical biology & drug design, 89(1):67-73.
            9. Rauf, M. K.*, Shaheen, U., Asghar, F., Badshah, A., Nadhman, A., Azam, S. S … &Yasinzai, M. (2016). Antileishmanial, DNA Interaction, and Docking Studies of Some Ferrocene‐Based Heteroleptic Pentavalent Antimonials. Archiv der Pharmazie, 349(1):50-62.
            10. Wadood, A.*, Ghufran, M., Hassan, S. F., Khan, H., Azam, S. S., & Rashid, U*. (2017). In silico identification of promiscuous scaffolds as potential inhibitors of 1-deoxy-d-xylulose 5-phosphate reductoisomerase for treatment of Falciparum malaria. Pharmaceutical biology, 55(1):19-32.
            11. Ali, S., Amina, B., Anwar, S., Minhas, R., Parveen, N., Nawaz, U., Azam, S. S.*, Abbasi, A. A.*, (2016), Genomic features of human limb specific enhancers. Genomics.

            2015

            1. Shamim, A., Abbasi, S. W., &Azam, S. S*. (2015). Structural and dynamical aspects of Streptococcus gordoniiFabH through molecular docking and MD simulations. Journal of Molecular Graphics and Modelling, 60, 180-196.
            2. Uddin, R.*, Saeed, K., Khan, W., Azam, S. S., &Wadood, A. (2015). Metabolic pathway analysis approach: identification of novel therapeutic target against methicillin resistant Staphylococcus aureus. Gene, 556(2): 213-226.
            3. Abbasi, S. W., Azam, S. S*. (2015). Structural Characterization of Alpha-methylacyl-CoA Racemase: Comparative Structural Modeling, Molecular Docking and Dynamic Simulations Studies. Current cancer drug targets, 15(9): 822-835.
            4. Anwar, S., Minhas, R., Ali, S., Azam, S. S*. Abbasi, A. A*. (2015). Identification and functional characterization of novel transcriptional enhancers involved in regulating human GLI3 expression during early development. Development, growth & differentiation, 57(8):570-580.
            5. Hammad, M. A., &Azam, S. S*. (2015). Structural dynamics and inhibitor searching for Wnt-4 protein using comparative computational studies. Drug Design, Development and Therapy, 9: 2449.
            6. Azam, S. S.*, Abro, A., &Raza, S. (2015). Binding pattern analysis and structural insight into the inhibition mechanism of Sterol 24-C methyltransferase by docking and molecular dynamics approach. Journal of Biomolecular Structure and Dynamics, 33(12), 2563-2577.

            2014

            1. Azam, S. S.*, &Shamim, A. (2014). An insight into the exploration of druggable genome of Streptococcus gordonii for the identification of novel therapeutic candidates. Genomics, 104(3), 203-214.
            2. Azam, S. S.*, &Mirza, A. H. (2014). Role of thumb index fold in Wnt-4 protein and its dynamics through a molecular dynamics simulation study. Journal of Molecular Liquids. 198, 313-321.
            3. Gul, R., Rauf, M. K.*, Badshah, A.*, Azam, S. S., Tahir, M. N., & Khan, A. (2014). Ferrocene-based guanidine derivatives: In vitro antimicrobial, DNA binding and docking supported urease inhibition studies. European journal of medicinal chemistry, 85, 438-449.
            4. Azam, S. S.*, Sarfaraz, S., Abro, A. (2014). Comparative modeling and virtual screening for the identification of novel inhibitors for myo-inositol-1-phosphate synthase. Molecular biology reports, 41(8):5039-5052.
            5. Azam, S. S.*, Abbasi, S. W., Tahir, S. (2014). Investigation of novel chemical inhibitors of human lysosomal acid lipase: virtual screening and molecular docking studies. Combinatorial chemistry & high throughput screening, 17(5), 473-482.
            6. Azam, S. S.*, Abbasi, S. W., Akhtar, A. S., Mirza, M. L. (2014). Comparative modeling and molecular docking studies of d-Alanine: d-alanine ligase: a target of antibacterial drugs. Medicinal Chemistry Research, 23(9), 4108-4137.
            7. Azam, S. S.*, Abro, A., Raza, S., &Saroosh, A. (2014). Structure and dynamics studies of sterol 24-C-methyltransferase with mechanism based inactivators for the disruption of ergosterol biosynthesis. Molecular biology reports, 41(7), 4279-4293.
            8. Azam, S. S.*, Abro, A., Tanvir, F., &Parvaiz, N. (2014). Identification of unique binding site and molecular docking studies for structurally diverse Bcl-xL inhibitors. Medicinal Chemistry Research, 23(8), 3765-3783.
            9. Azam, S. S.*, &Raza, S. (2014). Structure modeling and hybrid virtual screening study of Alzheimer’s associated protease kallikrein 8 for the identification of novel inhibitors. Medicinal Chemistry Research, 23(7), 3516-3527.
            10. Azam, S. S.*, Abbasi, S. W., &Batool, M. (2014). Structure modeling and docking study of HCV NS5B-3a RNA polymerase for the identification of potent inhibitors. Medicinal Chemistry Research, 23(2), 618-627.

            2013

            1. Azam, S. S.*, &Abbasi, S. W. (2013). Molecular docking studies for the identification of novel melatoninergic inhibitors for acetylserotonin-O-methyltransferase using different docking routines. Theoretical Biology and Medical Modelling. 10(1), 63.
            2. Azam, S. S.*, & Akhunzada, M. J. (2013). Structure and dynamic studies of lunatic, manic and radical fringe. Journal of Molecular Liquids. 188, 186-195.
            3. Azam, S. S.*, Saroosh, A., Zaman, N., &Raza, S. (2013). Role of N-acetylserotonin O-methyltransferase in bipolar disorders and its dynamics. Journal of Molecular Liquids. 182, 25-31.
            4. Yasir, M., Khan, H., Azam, S. S., Telke, A., Kim, S. W., & Chung, Y. R*. (2013). Cloning and functional characterization of endo-β-1, 4-glucanase gene from metagenomic library of vermicompost. Journal of Microbiology. 51(3), 329-335.

            2012

            1. Azam, S. S.*, Uddin, R., &Wadood, A. (2012). Structure and dynamics of alpha-glucosidase through molecular dynamics simulation studies. Journal of Molecular Liquids. 174, 58-62.
            2. Saleem, A., Azam, S. S.*, &Zarina, S. (2012). Docking and molecular dynamics simulation studies on glycation-induced conformational changes of human paraoxonase 1. European Biophysics Journal. 41(2), 241-248.

            2011

            1. Azam, S. S.*, Uddin, R., & Syed, A. A. S. (2011). Molecular docking studies of potent inhibitors of tyrosinase and α-glucosidase. Medicinal Chemistry Research. 21(8):1677-1683.

            2010

            1. Azam S.S. Haq Z. Fatimi M.Q*. (2010) “Classical and QM/MM MD simulations of sodium(I) and potassium(I) ions in aqueous solution”. Journal of Molecular Liquids. 153; (2-3) 95-100.
            2. Lim, L. H. V., Bhattacharjee, A., Asam, S. S., Hofer, T. S., Randolf, B. R., & Rode, B. M*. (2010). Structural and dynamical aspects of the unsymmetric hydration of Sb (III): an ab initio quantum mechanical charge field molecular dynamics simulation. Inorganic chemistry, 49(5):2132-2140.
            3. Azam, S. S., Lim, L. H. V., Hofer, T. S., Randolf, B. R., & Rode, B. M. (2010). Hydrated germanium (II): irregular structural and dynamical properties revealed by a quantum mechanical charge field molecular dynamics study. Journal of computational chemistry, 31(2), 278-285.

            2009

            1. Azam, S. S., Hofer, T. S., Bhattacharjee, A., Lim, L. H. V., Pribil, A. B., Randolf, B. R., & Rode, B. M. (2009). Beryllium (II): the strongest structure-forming ion in water? A QMCF MD simulation study. The Journal of Physical Chemistry B, 113(27), 9289-9295.
            2. Azam, S. S., Hofer, T. S., Randolf, B. R., & Rode, B. M. (2009). Hydration of sodium (I) and potassium (I) revisited: a comparative QM/MM and QMCF MD simulation study of weakly hydrated ions. The Journal of Physical Chemistry A, 113(9), 1827-1834.
            3. Azam, S. S., Hofer, T. S., Randolf, B. R., & Rode, B. M. (2009). Germanium (II) in water: An unusual hydration structure results of a QMCF MD simulation. Chemical Physics Letters, 470(1):85-89.

            2005

            1. Azam, S. S., Qazi, M. H., Ismail, Z., Saeed, M. A., Anis, M., F., and Zaidi, S. Z. A., (2005) Clinicomorphological Features of Cholecystitis and Cholelithiasis. Journal of Pakistan Medical Association (55):12 (Suppl. 2)
            2. Clinico-pathological Features and Incidence of Gallbladder Cancer in Karachi locally published in Journal of Pakistan Medical Association 2005, Vol. 55, No. 12 (Suppl. 2).

            Summary of Research Interest

            • Computational Biochemistry, Molecular Docking and Molecular Dynamics (MD) Simulations of proteins, computer aided drug design, addressing antimicrobial resistance (AMR), predicting protein-ligand binding free energy using hybrid Quantum Mechanical/Molecular Mechanical (QM/MM) Molecular Dynamics (MD) methods, Exploration of druggable genome and application of reverse vaccinology in vaccine design, maintaining the synergistic relationship with the experimental research work carried out on various proteins at the resource lab of the institute. Course on Molecular Dynamics for MS, Ph.D. and undergraduate courses of bioinformatics have been undertaken at Quaid-i-Azam University and Chulalongkorn University, Thailand.
            • Reference
            • 1. Prof. Dr. Muhammad Iqbal Choudhary,
            • H.I., S.I., T.I. Director
            • International Center for Chemical and Biological Sciences.
            • University of Karachi, Karachi-75270
            • Pakistan.
            • Phone.+92-21-34824924, 34824925, 99261711
            • Fax. +92-21-34819018, 99261713
            • E-mail: iqbal.choudhary@iccs.edu
            • Links. www.iccs.eduTo be furnished upon request.
            • 2. Prof. Dr. Klaus R. Liedl
            • Klaus.liedl@gmail.com
            • Klaus.Liedl@uibk.ac.at
            • +43(512)507-57100
            • Room L.01.132
            • Secretary:
            • Sonja.Haller@uibk.ac.at
            • +43(512)507-57101
            • Fax +43(512)507-57199
            • Room L.01.123
            • 3. Dr. Zaheer Ul Haq Qasmi
            • Associate Professor
            • Computational Medicinal Chemistry
            • E-mail: zaheer_qasmi@hotmail.com, zaheer.qasmi@iccs.edu
            • Telephone: 111-222-292 Ext:309
            • Office: Room PCMD-133
            • 4. Dr. Thanyada Rungrotmongkol
            • Assistant Professor
            • Department of Biochemistry,
            • Faculty of Science,
            • Chulalongkorn University Payathai Road,
            • Patumwan, Bangkok 10330 Thailand,
            • E-Mail: t.rungrotmongkol@gmail.com
            • Thanyada.r@Chula.ac.th
            • Tel.: +66-662-218-54
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