Dr. Syed Sikander Azam

Dr. Syed Sikander Azam

Professor | National Centre for Bioinformatics

Contact Information

Email: ssazam@qau.edu.pk

Office Phone: +92-051 9064-4130

Affiliation:
National Centre for Bioinformatics,
Quaid-i-Azam University, Islamabad

Academic Qualifications

Post-Doctoral Visit 2019 Visiting Researcher at University of Maryland, USA.
Post-Doctoral Visit 2018 Visiting Researcher at University of Maryland, USA.
Post-Doctoral Visit 2017 Visiting Professor at Chulalongkorn University, Bangkok, Thailand.
Post-Doctoral Visit 2015 Three-Month Research Visit (July–September) at Centre for Chemistry and Biomedicine (CCB), Innsbruck, Austria.
Ph.D (2009) Computational Chemistry, University of Innsbruck, Austria.
M.Sc (2004) First Division, Department of Biotechnology, University of Karachi.
B.Sc (2001) First Division, D.J. Science College, University of Karachi.
F.Sc (1999) First Division (Pre-Medical), Karachi.
S.Sc (1997) First Division, Board of Secondary Education Karachi.

Research Resources

Database MDB:
https://mdb.mdrip.com.pk/

Software (AFD):
All rights of utilizing AFD in any analysis are reserved. Seeking permission from the corresponding author is necessary for copyright purposes and redistribution is not allowed.

Download: AFD with examples

Readme: View Readme File

ResearchGate: https://www.researchgate.net/profile/Syed-Azam-8

Google Scholar: https://scholar.google.com/citations?user=PltPvrMAAAAJ&hl=en

Patents Gained

Patent 01
Method Patent Gained on AFD (Axial Frequency Distribution) 2023
Patent 02
Method Patent Gained on MDB (Molecular Dynamic Data Bank) 2023
Patent 03
Method Patent Gained on Novel Thienopyrimidines Targeting β-lactamase 2025

Academic Profile Summary

Total No. of Publications 121
Total Impact Factor 479.7318
H-index 32
Total No. of PhDs Produced 11
Total No. of M.Phils Produced 75
International Awards / Certificates Received 05
National Awards Received 06
MS / PhD and Undergraduate Teaching Active

Research Interests

Dr. Syed Sikander Azam's research focuses on Computational Biochemistry, Computer-Aided Drug Design (CADD), Molecular Docking, and Molecular Dynamics (MD) Simulations of biomolecular systems. His work aims to understand molecular mechanisms of disease and accelerate the discovery of novel therapeutic agents through advanced computational approaches.

A major area of his research is addressing Antimicrobial Resistance (AMR) through the identification of drug targets, optimization of lead compounds, and characterization of resistance mechanisms. His studies employ state-of-the-art computational methodologies, including hybrid Quantum Mechanical/Molecular Mechanical (QM/MM) Molecular Dynamics simulations for predicting protein–ligand binding free energies and understanding biomolecular interactions at atomic resolution.

His research also encompasses the exploration of the druggable genome, rational drug discovery, and the application of reverse vaccinology for the design and development of next-generation vaccines. He actively promotes the integration of computational predictions with experimental validation, maintaining a strong synergy between in silico and laboratory-based research activities conducted at the institute's resource laboratories.

In addition to research, Dr. Azam has played a significant role in advanced bioinformatics education and training. He has designed and delivered specialized courses on Molecular Dynamics Simulations, Computational Drug Discovery, and Bioinformatics for undergraduate, MS, and PhD students at Quaid-i-Azam University, Pakistan and Chulalongkorn University, Thailand.

Scholarships, Awards & Honors

🏅 PAS Gold Medal 2024
Awarded in Emerging Technologies, including Biotechnology, Nanotechnology, Bioinformatics, Artificial Intelligence, and Data Science.
🎓 Ratchadapisek Somphot Fund (2017)
Recipient of the prestigious Ratchadapisek Somphot Fund, Thailand.
🇦🇹 Ernst Mach Follow-up Grant (2020)
Awarded by the Austrian Science Foundation (EZA), Austria.
🇦🇹 Ernst Mach Follow-up Grant (2015)
Awarded by the Austrian Science Foundation (EZA), Austria.
📜 Outstanding Reviewer Certificate
Certificate of Outstanding Contribution in Reviewing awarded by the Journal of Molecular Graphics and Modelling in 2014, 2015, and 2017.
🏆 Research Productivity Award (RPA)
Awarded by the Pakistan Council for Science and Technology in 2013, 2015, and 2017.
🎖️ Performance-Based Faculty Productivity Award
Awarded by Quaid-i-Azam University in 2014, 2016, and 2018.
🌍 Young Modeller Award (MGMS)
University of Erlangen-Nürnberg, Germany (2009).
🎓 Intermediate Program Scholarship
Awarded by DJ Alumni Foundation.
🎓 Bachelor's Program Scholarship
Awarded by the Higher Education Commission (formerly University Grants Commission) under the President's Talent Farming Scheme.
🎓 PhD Scholarship
Technology Grant Scholarship from ÖAD, Theoretical Chemistry Division, University of Innsbruck, Austria.
Research Publications

Dr. Syed Sikander Azam - Publications

2025
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. https://doi.org/10.1021/acsomega.5c10798.
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). https://doi.org/10.1038/s41598-025-03536-0
2024
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, https://doi.org/10.1080/07391102.2024.2316790
Aliza Naz, Fouzia Gul, Syed Sikander Azam (2024) Recursive dynamics of GspE through machine learning enabled identification of inhibitors,Computational Biology and Chemistry.https://doi.org/10.1016/j.compbiolchem.2024.108217
2023
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. https://doi.org/10.1016/j.jmgm.2023.108665
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). https://doi.org/10.1038/s41598-023-48186-2
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 https://doi.org/10.1021/acs.jcim.3c00780
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. https://doi.org/10.1016/j.heliyon.2023.e18059
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 https://doi.org/10.1021/acs.jpcb.2c07376
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. https://doi.org/10.1371/journal.pone.0283743
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. https://doi.org/10.1016/j.molliq.2023.121454
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. https://doi.org/10.1016/j.jmgm.2023.108425
Zaman, N., & Azam, S. S. (2022). Quantum Dynamics and Bi Metal Force Field Parameterization Yielding Significant Antileishmanial Targets. Journal of Chemical Information and Modeling. https://doi.org/10.1021/acs.jcim.2c01100
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. https://doi.org/10.1016/j.jmgm.2023.108422
Sanachai, K., Mahalapbutr, P., Tabtimmai, L., & Seetaha, S. (2023). In Silico and In Vitro Study of Janus Kinases Inhibitors from Naphthoquinones.
2022
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.
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.
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.
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. https://doi.org/10.53560/PPASB(58-1)349
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.
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
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. https://doi.org/10.1016/j.molliq.2021.116899
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
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.org/10.1371/journal.pone.0244967
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.
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.org/ 10.1016/j.molliq.2020.114797
2020
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.org/10.2174/1570180817666200108095912
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.org/10.1016/j.jorganchem.2020.121357
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
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.org/10.1021/acs.jcim.9b01134
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.org/10.1016/j.jmgm.2020.107585
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.org/10.1016/j.molliq.2020.112939.
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.org/10.1016/j.molliq.2020.113612
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.org/10.1016/j.jmgm.2020.107625
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.org/10.1007/s00894-020-04475-5
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
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.org/10.1016/j.ejps.2020.105258.
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
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.org/10.1016/j.jmgm.2019.107477
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
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
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.org/10.1007/s13258-019-00857-z
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.org/10.1002/aoc.5061
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.
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
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
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.
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
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
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
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.
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.
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
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.
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
Raza, S., Azam, S.S.*, (2018) AFD: an application for bi-molecular interaction using axial frequency distribution. Journal of Molecular Modelling. 24(4): 84
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.
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
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.
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.
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.
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.
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.
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.
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
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
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.
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.
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.
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
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.
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
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.
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.
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).
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.
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.
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.
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
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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
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.
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.
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.
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.
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.
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
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.
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.
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.
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.
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.
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.
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.
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.
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.
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
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.
Azam, S. S.*, & Akhunzada, M. J. (2013). Structure and dynamic studies of lunatic, manic and radical fringe. Journal of Molecular Liquids. 188, 186-195.
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.
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
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.
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
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
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.
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.
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
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.
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.
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
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)
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).
Research Students | Dr. Syed Sikander Azam

Research Supervision Record

Research Students Produced

Complete student supervision data from the provided document, organized into professional Ph.D. and M.Phil sections with thesis topics and completion years preserved.

Ph.D. Students M.Phil Students
Total Students91
Ph.D. Students11
M.Phil Students80

2016-2023

Ph.D. Research Students

11 entries
1

Afifa Navid

2023

Characterization and Bimolecular Simulations of Drug Candidates involved in Multi-Drug Resistance

Original entry

Afifa Navid “Characterization and Bimolecular Simulations of Drug Candidates involved in Multi-Drug Resistance” 2023.

2

Ghulam Abbas

2023

Computational and Simulation Studies to unveil Promising Drug and Vaccine Targets against the Multidrug Resistant Pathogens

Original entry

Ghulam Abbas “Computational and Simulation Studies to unveil Promising Drug and Vaccine Targets against the Multidrug Resistant Pathogens” 2023.

3

Nousheen Parvaiz

2023

Structural and Dynamic Studies of Enzymes involved in Multidrug Resistant Pathogens

Original entry

Nousheen Parvaiz “Structural and Dynamic Studies of Enzymes involved in Multidrug Resistant Pathogens” 2023.

4

Faisal Ahmed

2023

Pan-genome analysis and Simulation studies to explore Potential Drug Candidates against MDR pathogens involved in Hospital Acquired Infections

Original entry

Faisal Ahmed “Pan-genome analysis and Simulation studies to explore Potential Drug Candidates against MDR pathogens involved in Hospital Acquired Infections” 2023.

5

Naila Zaman

2023

Characterization and Dynamics Studies of Drugs for Combating Multi-Drug Resistance

Original entry

Naila Zaman “Characterization and Dynamics Studies of Drugs for Combating Multi-Drug Resistance” 2023.

6

Rozina Tabassum

2023

Mining of Drud and Vaccine Candidates Against Stenotrophomonas maltophilia Using In silico Pan-proteomic Analyses

Original entry

Rozina Tabassum “Mining of Drud and Vaccine Candidates Against Stenotrophomonas maltophilia Using In silico Pan-proteomic Analyses” 2023.

7

Sajjad Ahmad

2020

Deciphering the Dynamics of Therapeutic Proteins from Nosocomial Pathogens

Original entry

Sajjad Ahmad “Deciphering the Dynamics of Therapeutic Proteins from Nosocomial Pathogens” 2020.

8

Saad Raza

2018

Computational Studies on Inhibition Mechanism of Biologically Significant enzymes

Original entry

Saad Raza “Computational Studies on Inhibition Mechanism of Biologically Significant enzymes” 2018.

9

Saneela Anwar

2017

GLI3 gene: cis-regulatory control

Original entry

Saneela Anwar “GLI3 gene: cis-regulatory control” 2017.

10

Asma Abro

2016

Molecular Dynamics Simulation Study of MedicinallySignificant Enzymes and Proteins

Original entry

Asma Abro “Molecular Dynamics Simulation Study of MedicinallySignificant Enzymes and Proteins” 2016.

11

Sumra Wajid Abbassi

2016

Theoretical and Computational Structure Function Studies of Medicinally Important Proteins

Original entry

Sumra Wajid Abbassi “Theoretical and Computational Structure Function Studies of Medicinally Important Proteins” 2016.

2012-2026

M.Phil Research Students

80 entries
1

Aasim Zeeshan

2026

Decoding Drug Combination Behavior from Molecular Structure: A Rigorous Machine Learning Study of Synergy in Drug Discovery

Original entry

Aasim Zeeshan “Decoding Drug Combination Behavior from Molecular Structure: A Rigorous Machine Learning Study of Synergy in Drug Discovery” 2026.

2

Erum Anwar Wazir

2026

A Comprehensive Computational Evaluation of FDA Approved Drugs and their Binding Trends

Original entry

Erum Anwar Wazir “A Comprehensive Computational Evaluation of FDA Approved Drugs and their Binding Trends” 2026.

3

Bakhtawar Tasawar

2025

Dynamic Characterization Study of FDA-Approved Antibiotics Targeting Cell Wall Proteins

Original entry

Bakhtawar Tasawar “Dynamic Characterization Study of FDA-Approved Antibiotics Targeting Cell Wall Proteins” 2025.

4

Aqsa Amjad

2025

Comprehensive Molecular Dynamic Simulations Study of FDA-approved Antibiotics targeting Nucleic Acid Proteins

Original entry

Aqsa Amjad “Comprehensive Molecular Dynamic Simulations Study of FDA-approved Antibiotics targeting Nucleic Acid Proteins” 2025.

5

Rimsha Naz

2025

Dynamics of Disruption in Heme utilization in Vibrio cholarae; as iron chelators on HutZ protein

Original entry

Rimsha Naz “Dynamics of Disruption in Heme utilization in Vibrio cholarae; as iron chelators on HutZ protein” 2025.

6

Khawar Saeed

2024

Systematic Identification of Predictive Biomarkers for GSK1904529 A: A multi-omics and Molecular Dynamics approach for precision medicine of cancer

Original entry

Khawar Saeed “Systematic Identification of Predictive Biomarkers for GSK1904529 A: A multi-omics and Molecular Dynamics approach for precision medicine of cancer” 2024.

7

Noor ul Ain

2024

Captopril Induced Comparative Dynamics and its Role in Reversal of Antibiotics Resistance in Klebsiella pneumoniae

Original entry

Noor ul Ain “Captopril Induced Comparative Dynamics and its Role in Reversal of Antibiotics Resistance in Klebsiella pneumoniae” 2024.

8

Mahzaib Yousaf

2024

Comparative Dynamics of clinical trial drugs as appetite stimulant for wasting syndrome

Original entry

Mahzaib Yousaf “Comparative Dynamics of clinical trial drugs as appetite stimulant for wasting syndrome” 2024.

9

Aliza Naz

2023

In silico quest of machine learning enabled identification of potential inhibitors against MDR Achromobacter xylosoxidans

Original entry

Aliza Naz “In silico quest of machine learning enabled identification of potential inhibitors against MDR Achromobacter xylosoxidans” 2023.

10

Samreen Iqbal

2023

Relational Dynamic study of Construct Mapping against Multi-Drug Resistant Aeromonas

Original entry

Samreen Iqbal “Relational Dynamic study of Construct Mapping against Multi-Drug Resistant Aeromonas” 2023.

11

Muqadas Shah Nawaz

2023

Comparative dynamics Study of therapeutic drug target against multi-drug resistant Elizabethkingia anophelis

Original entry

Muqadas Shah Nawaz “Comparative dynamics Study of therapeutic drug target against multi-drug resistant Elizabethkingia anophelis” 2023.

12

Raheela Majeed

2023

Comparative Dynamics and Drug Targeting against Multidrug Resistant Bordetella Pertussis

Original entry

Raheela Majeed “Comparative Dynamics and Drug Targeting against Multidrug Resistant Bordetella Pertussis” 2023.

13

Iqra Haroon

2023

AI Based Computational Modeling of LPS Catalysis Proteins via AlphaFold: A Computational Drug Designing Approach

Original entry

Iqra Haroon “AI Based Computational Modeling of LPS Catalysis Proteins via AlphaFold: A Computational Drug Designing Approach” 2023.

14

Iqra Aziz

2022

Proteome wide identification of Therapeutic Drug Candidates against Alcaligenes faecalis

Original entry

Iqra Aziz “Proteome wide identification of Therapeutic Drug Candidates against Alcaligenes faecalis” 2022.

15

Laraib Ghazi

2022

Proteome Wide Exploration of Drug Candidates against Multidrug-Resistant Citrobacter freundii

Original entry

Laraib Ghazi “Proteome Wide Exploration of Drug Candidates against Multidrug-Resistant Citrobacter freundii” 2022.

16

Asma Naz

2022

Molecular Dynamic Simulation based Drug targeting for Multi-drug resistant Escherichia fergusonii

Original entry

Asma Naz “Molecular Dynamic Simulation based Drug targeting for Multi-drug resistant Escherichia fergusonii” 2022.

17

Attiya Maqsood

2022

Comparative Structural and Molecular Dynamic Studies of AhDdl as an Antibacterial Target

Original entry

Attiya Maqsood “Comparative Structural and Molecular Dynamic Studies of AhDdl as an Antibacterial Target” 2022.

18

Sabeeka Zafar

2022

Comprehensive Studies of IcmR-IcmQ Heterodimer from Legionella pneumophila as Anti-bacterial Target

Original entry

Sabeeka Zafar “Comprehensive Studies of IcmR-IcmQ Heterodimer from Legionella pneumophila as Anti-bacterial Target” 2022.

19

Kiran Fatima

2022

Drug targeting against spa15 of multi drug resistant shigella flexneri through molecular dynamics simulation

Original entry

Kiran Fatima “Drug targeting against spa15 of multi drug resistant shigella flexneri through molecular dynamics simulation” 2022.

20

Arsum Ali

2022

Drug Targeting Against hldD of Multi-Drug Resistant Raoultella terrigena Through Molecular Dynamic Simulation Studies

Original entry

Arsum Ali “Drug Targeting Against hldD of Multi-Drug Resistant Raoultella terrigena Through Molecular Dynamic Simulation Studies” 2022.

21

Yasir Akbar

2021

Computational studies of Anti-Staph Afabicin and T3SS of Yersinia for drug design

Original entry

Yasir Akbar “Computational studies of Anti-Staph Afabicin and T3SS of Yersinia for drug design” 2021.

22

Kainat Gul

2021

Structural and Dynamics of novel candidates of anti-anemia PHD2 and anti-bacterial CoaD

Original entry

Kainat Gul “Structural and Dynamics of novel candidates of anti-anemia PHD2 and anti-bacterial CoaD” 2021.

23

Rimsha Yousaf

2021

Comprehensive Molecular Dynamics studies of GlmU along with anti-tumor Telaglenastat

Original entry

Rimsha Yousaf “Comprehensive Molecular Dynamics studies of GlmU along with anti-tumor Telaglenastat” 2021.

24

Fouzia Gul

2021

Structural and Molecular Dynamics of Lanifibranor as anti-NASH drug and Isocitrate Lyase as antibacterial target

Original entry

Fouzia Gul “Structural and Molecular Dynamics of Lanifibranor as anti-NASH drug and Isocitrate Lyase as antibacterial target” 2021.

25

Laila Gul

2020

Molecular Dynamics Simulation of Anti-Cancer Diprovocim and TagAas an Anti-bacterial Target

Original entry

Laila Gul “Molecular Dynamics Simulation of Anti-Cancer Diprovocim and TagAas an Anti-bacterial Target” 2020.

26

Saba Ismail

2020

Towards Rational Vaccine and Drug Design for Enterbacter Cloace: An etiological agent of multiple nosocomial infection

Original entry

Saba Ismail “Towards Rational Vaccine and Drug Design for Enterbacter Cloace: An etiological agent of multiple nosocomial infection” 2020

27

Zahra Akhtar

2020

Structural and Dynamic of Palbociclib as Anti=Cancer and DegU as Anti-bacterial Target

Original entry

Zahra Akhtar “Structural and Dynamic of Palbociclib as Anti=Cancer and DegU as Anti-bacterial Target”. 2020

28

Tayyaba Gulistan

2020

structural and dynamic Studies of Anti-inflammatory Risankizumab and Anti-Bacterial KdsC

Original entry

Tayyaba Gulistan: “structural and dynamic Studies of Anti-inflammatory Risankizumab and Anti-Bacterial KdsC”. 2020

29

Ammara Mushtaq

2020

Comprehensie Simulation studies of Anti-Cancerous Sacituzumab Govitecan and Anti-bacterial DrugTarget DesR

Original entry

Ammara Mushtaq “Comprehensie Simulation studies of Anti-Cancerous Sacituzumab Govitecan and Anti-bacterial DrugTarget DesR” 2020.

30

Kinza Khurram

2019

Proteome-wide Characterization to Identify Vaccine and Drug Candidates against Haemophilus Influenzae; A Major Cause of Respiratory Diseases

Original entry

Kinza Khurram “Proteome-wide Characterization to Identify Vaccine and Drug Candidates against Haemophilus Influenzae; A Major Cause of Respiratory Diseases”. 2019

31

Zahra Shahzadi

2019

Identification and Simulation Studies of Potential Inhibitors against Clostridium Difficile and Entamoeba Histolytica: Etiological agents of Global Diarrhea

Original entry

Zahra Shahzadi “Identification and Simulation Studies of Potential Inhibitors against Clostridium Difficile and Entamoeba Histolytica: Etiological agents of Global Diarrhea” 2019.

32

Azka Amed

2019

Identification of Potential Drug Targets and Simulation Studies of an Emerging Nosocomial Uropathogen: Providencia Rettgeri

Original entry

Azka Amed “Identification of Potential Drug Targets and Simulation Studies of an Emerging Nosocomial Uropathogen: Providencia Rettgeri ”.2019

33

Maham Shabaz

2019

In silico Quest for Potential Drug Target Identification against Mite-Borne Bacterium: Orientia Tsutsugamushi

Original entry

Maham Shabaz “In silico Quest for Potential Drug Target Identification against Mite-Borne Bacterium: Orientia Tsutsugamushi”.2019

34

Zartasha Shabaz

Subtractive Proteomic Approach for Drug Target Identification and Elucidation of Natural Inhibitors against Legionella Longbeachae Followed by Molecular Dynamics Simulation Studies

Original entry

Zartasha Shabaz “Subtractive Proteomic Approach for Drug Target Identification and Elucidation of Natural Inhibitors against Legionella Longbeachae Followed by Molecular Dynamics Simulation Studies”

35

Rida Sajjad

2019

Designing a Multi-Epitope Vaccine for Acinetobacter Nosocomialis: A Combined subtractive Proteomics and Immunoinformatics Approach

Original entry

Rida Sajjad “Designing a Multi-Epitope Vaccine for Acinetobacter Nosocomialis: A Combined subtractive Proteomics and Immunoinformatics Approach”. 2019.

36

Asma Nazar

2019

Deciphering the Inhibition Mechanism of Trials HSP90 Inhibitors and their Analogues: A Comparative Molecular Dynamics Simulations

Original entry

Asma Nazar “Deciphering the Inhibition Mechanism of Trials HSP90 Inhibitors and their Analogues: A Comparative Molecular Dynamics Simulations”. 2019.

37

Muhammad Talal Amin

2018

Identification and Classification of Repeat Elements in Whole Genome Sequence Assemblies of Fish

Original entry

Muhammad Talal Amin “Identification and Classification of Repeat Elements in Whole Genome Sequence Assemblies of Fish”. 2018.

38

Dur-e-Zahra

2018

Exploration of Drugs target against Campylobacter Jejuni using combinatorial approach of Subtractive Proteomics Molecular Docking and Molecular Dynamics Simulation

Original entry

Dur-e-Zahra “Exploration of Drugs target against Campylobacter Jejuni using combinatorial approach of Subtractive Proteomics Molecular Docking and Molecular Dynamics Simulation” 2018.

39

Bilal Shaker

2018

Elucidation and Screening of Plausible Drug Targets against UDP-N-acetyl glucosamine Acetyltransferase (LpxA) of Klebsiella Pneumoniase subspecie pneumoniae HS11286

Original entry

Bilal Shaker “Elucidation and Screening of Plausible Drug Targets against UDP-N-acetyl glucosamine Acetyltransferase (LpxA) of Klebsiella Pneumoniase subspecie pneumoniae HS11286” 2018.

40

Anita Zaib

2018

An integrated Computational Approach for Identification of Potential Drug Candidates agaist Elizabethkingia Meningosepticum

Original entry

Anita Zaib “An integrated Computational Approach for Identification of Potential Drug Candidates agaist Elizabethkingia Meningosepticum” 2018.

41

Iqra

2018

Sturctural Based Virtual Screening Binding Free Energy Calculation of ATP Binding Site Inhibitors against MurE ligasefrom Acinetobacter Baumannii

Original entry

Iqra “Sturctural Based Virtual Screening Binding Free Energy Calculation of ATP Binding Site Inhibitors against MurE ligasefrom Acinetobacter Baumannii” 2018.

42

Uzair Ali Murtaza

Proteome Mining for Plausible Drug Targets Against Multi-Drug Resistant Klebsiella michiganensis

Original entry

Uzair Ali Murtaza “Proteome Mining for Plausible Drug Targets Against Multi-Drug Resistant Klebsiella michiganensis”.

43

Naima malik

2018

Identification of Potential Drug Candidates in the Druggable Proteome of Francisella tularensis through Subtractive Proteomics Approach

Original entry

Naima malik “Identification of Potential Drug Candidates in the Druggable Proteome of Francisella tularensis through Subtractive Proteomics Approach” 2018.

44

Tayyaba

2018

Proteome wide Identification of Therapeutic Drug Candidates against Klebsiella Variicola

Original entry

Tayyaba “Proteome wide Identification of Therapeutic Drug Candidates against Klebsiella Variicola” 2018

45

Komal Aslam

2018

Explorationa of Drugable Genome of Campylobacter coli to Identify Drugable Targets

Original entry

Komal Aslam “ Explorationa of Drugable Genome of Campylobacter coli to Identify Drugable Targets” 2018

46

Shehneela Baseer

2017

Proteome mining for characterizing drug and vaccine target against multidrug resistant Shigella sonnei

Original entry

Shehneela Baseer “Proteome mining for characterizing drug and vaccine target against multidrug resistant Shigella sonnei” 2017

47

Zunera Khalid

2017

Proteome wide Identification of Putative Drug and Vaccine against Multi-drug resistant Corynebacterium diphtheria

Original entry

Zunera Khalid “ Proteome wide Identification of Putative Drug and Vaccine against Multi-drug resistant Corynebacterium diphtheria” 2017

48

Nosheen Ehsan

2017

Exploring Drug and Vaccine Targets against Proteus mirabilis: A Major Cause of Urinary Tract Infection

Original entry

Nosheen Ehsan “Exploring Drug and Vaccine Targets against Proteus mirabilis: A Major Cause of Urinary Tract Infection” 2017

49

Yalda Asad

2017

Proteome-wide Exploration for Drug and Vaccine Targets Against MDR Providencia Stuartii: An Etiological Agent of Purple Urine Bag Syndrome

Original entry

Yalda Asad “Proteome-wide Exploration for Drug and Vaccine Targets Against MDR Providencia Stuartii: An Etiological Agent of Purple Urine Bag Syndrome” 2017

50

Qurat-ul-Ain

2017

An Integrated Approach for the Identification of Vaccine and Drug Targets Against Multi-Drug Resistant Yersinia enterocolitica

Original entry

Qurat-ul-Ain “An Integrated Approach for the Identification of Vaccine and Drug Targets Against Multi-Drug Resistant Yersinia enterocolitica” 2017

51

Ghulam Abbas

2017

Subtractive Genome Analysis for the Identification of Potential Drug Targets in Vibrio Vulnificus: An Emerging Halophilic pathogen

Original entry

Ghulam Abbas “Subtractive Genome Analysis for the Identification of Potential Drug Targets in Vibrio Vulnificus: An Emerging Halophilic pathogen” 2017

52

Mawra Irshad

2017

Exploring the Druggable Genome of Enterobacter Cloacae Through Subtractive Genomics Approach and Characterization of the Novel Drug Targets & quot

Original entry

Mawra Irshad “Exploring the Druggable Genome of Enterobacter Cloacae Through Subtractive Genomics Approach and Characterization of the Novel Drug Targets & quot” 2017

53

Farhan ul haq

2016

Comparative Study of Beta-lactamase Resistance in Human Pathogens due to NDM-I using Molecular Dynamics Simulations

Original entry

Farhan ul haq “Comparative Study of Beta-lactamase Resistance in Human Pathogens due to NDM-I using Molecular Dynamics Simulations” 2016

54

Gul Sanober

2016

Investigation of The Druggable Genome of Multi-Drug Resistant Staphylococcus epidermids to Identify and Characterize Plausible Drug Target”

Original entry

Gul Sanober Investigation of The Druggable Genome of Multi-Drug Resistant Staphylococcus epidermids to Identify and Characterize Plausible Drug Target” 2016

55

Sundus Iqbal

2015

Exploration of Druggable Genome in Multi-Drug Resistant Yersinia pestis for the Identification of Therapeutic Drugs

Original entry

Sundus Iqbal “Exploration of Druggable Genome in Multi-Drug Resistant Yersinia pestis for the Identification of Therapeutic Drugs” 2015

56

Noor Ul Ain Sajid Mughal

2015

In silico Identification of Potential Therapeutic Targets from Various Pathways of Human Pathogen: Klebsiella pneumoniae

Original entry

Noor Ul Ain Sajid Mughal “In silico Identification of Potential Therapeutic Targets from Various Pathways of Human Pathogen: Klebsiella pneumoniae” 2015

57

Fozia Shaheen

2015

Characterization of Druggable Genome and Identification of Putative Drug Targets in Multi-Drug Resistant Cronobacter sakazakii

Original entry

Fozia Shaheen “Characterization of Druggable Genome and Identification of Putative Drug Targets in Multi-Drug Resistant Cronobacter sakazakii” 2015

58

Iqra Ahmad

2015

Characterization of Druggable Genome and Proteome-Wide Identification of Potential Therapeutic Candidates in Human Pathogen: Vibrio cholera

Original entry

Iqra Ahmad “Characterization of Druggable Genome and Proteome-Wide Identification of Potential Therapeutic Candidates in Human Pathogen: Vibrio cholera” 2015

59

Sanum Javed Khan

2015

Identification of potential drug targets from multidrug resistant pathogen Streptococcus agalactiae

Original entry

Sanum Javed Khan “Identification of potential drug targets from multidrug resistant pathogen Streptococcus agalactiae” 2015

60

Nimra Sabir

2015

Investigation of druggable genome and drug target identification for Klebsiella oxytoca through computational studies

Original entry

Nimra Sabir “Investigation of druggable genome and drug target identification for Klebsiella oxytoca through computational studies” 2015

61

Seemab Khurshid

2015

Identification of Novel Drug Targets by Exploring the Druggable Genome of Vibrio parahaemolyticus

Original entry

Seemab Khurshid “Identification of Novel Drug Targets by Exploring the Druggable Genome of Vibrio parahaemolyticus” 2015

62

Hira Jabeen

2015

Exploration and the identification of potential drug targets in multi-drug resistant Human Pathogen Staphylococcus aureus

Original entry

Hira Jabeen “Exploration and the identification of potential drug targets in multi-drug resistant Human Pathogen Staphylococcus aureus” 2015

63

Anum Khalid

2014

Investigation of Druggable Genome and Drug Target Identification for Serratia marcescens Through Computational Studies

Original entry

Anum Khalid “Investigation of Druggable Genome and Drug Target Identification for Serratia marcescens Through Computational Studies” 2014

64

Iqra Shehzadi

2014

Identification of Drug Targets By Investigating the Druggable Genome of Clinical Pathogen and Multi-Drug Resistant Bacteroides fragilis

Original entry

Iqra Shehzadi “Identification of Drug Targets By Investigating the Druggable Genome of Clinical Pathogen and Multi-Drug Resistant Bacteroides fragilis” 2014

65

Saba Hassan

2014

In silico Exploration of Druggable Genome of Vancomycin Resistant Enterococcus Faecium for the Identification of Therapeutic Drugs

Original entry

Saba Hassan “In silico Exploration of Druggable Genome of Vancomycin Resistant Enterococcus Faecium for the Identification of Therapeutic Drugs” 2014

66

Amina Saleem Akhtar

2014

Characterization of Druggable Genome and the Identification of the Putative drug Targets in the Multi-drug Resistant Klebsiella pneumoniae

Original entry

Amina Saleem Akhtar “Characterization of Druggable Genome and the Identification of the Putative drug Targets in the Multi-drug Resistant Klebsiella pneumoniae ” 2014

67

Farya Tanvir

2014

”In silico Integrative Approach to Identify Druggable Candidates in Acinetobacter baumannii: An Emerging Multi-drug Resistant Pathogen”

Original entry

Farya Tanvir ”In silico Integrative Approach to Identify Druggable Candidates in Acinetobacter baumannii: An Emerging Multi-drug Resistant Pathogen” 2014

68

Mah-Laka

2014

In silico Identification of potential Therapeutic Targets from different Metabolic Pathways of Human Pathogen Aggregatibacter aphrophilus

Original entry

Mah-Laka “In silico Identification of potential Therapeutic Targets from different Metabolic Pathways of Human Pathogen Aggregatibacter aphrophilus” 2014

69

Syeda Marzia Zehra Rizvi

2014

Identification of potential therapeutic targets from variuos metabolic pathways in White Plague Pathogen: Mycobacterium tuberculosis

Original entry

Syeda Marzia Zehra Rizvi “Identification of potential therapeutic targets from variuos metabolic pathways in White Plague Pathogen: Mycobacterium tuberculosis” 2014

70

Nousheen Parvaiz

2014

Proteome-wide Identification of Potential Therapeutic Targets in Human S. lugdunensis

Original entry

Nousheen Parvaiz “Proteome-wide Identification of Potential Therapeutic Targets in Human S. lugdunensis” 2014

71

Amen Shamim

2014

In silico exploration of druggable genome of Streptococcus gordonii for the identification of therapeutic drugs

Original entry

Amen Shamim “In silico exploration of druggable genome of Streptococcus gordonii for the identification of therapeutic drugs” 2014

72

Nida Khalid

2014

Investigation of druggable genome for Streptococcus sanguinis SK36 through various computational tools

Original entry

Nida Khalid “Investigation of druggable genome for Streptococcus sanguinis SK36 through various computational tools” 2014

73

Maria Batool

2014

Investigation of druggable genome for Staphylococcus aureus JH9 Vancomycin resistant strain through computational studies

Original entry

Maria Batool “Investigation of druggable genome for Staphylococcus aureus JH9 Vancomycin resistant strain through computational studies” 2014

74

Sara Sarfaraz

2013

Molecular modeling and comparative dynamic studies of myo inositol-1-phosphate synthase

Original entry

Sara Sarfaraz “Molecular modeling and comparative dynamic studies of myo inositol-1-phosphate synthase” 2013

75

Shifa Tahir

2013

Molecular modeling and molecular dynamics simulation studies of amidophosphoribosyl transferase

Original entry

Shifa Tahir “Molecular modeling and molecular dynamics simulation studies of amidophosphoribosyl transferase” 2013

76

Mirza Ahmed Hammad ul Mubeen Muhammad

2013

Comparative molecular dynamics simulations studies of Wnt-4 protein

Original entry

Mirza Ahmed Hammad ul Mubeen Muhammad “Comparative molecular dynamics simulations studies of Wnt-4 protein” 2013

77

Muhammad Jan Akhunzada

2012

Computational genomics and structural dynamics studies of glycosyl transferases

Original entry

Muhammad Jan Akhunzada “Computational genomics and structural dynamics studies of glycosyl transferases” 2012

78

Saad Raza

2012

Comparative modeling and molecular dynamics simulation studies of cerebral proteins

Original entry

Saad Raza “Comparative modeling and molecular dynamics simulation studies of cerebral proteins” 2012

79

Naila Zaman

2012

Molecular dynamics simulation studies of medicinally and industrially important enzymes

Original entry

Naila Zaman “Molecular dynamics simulation studies of medicinally and industrially important enzymes” 2012

80

Ayman Saroosh

2012

Comparative molecular modeling and dynamics studies of transferases

Original entry

Ayman Saroosh “Comparative molecular modeling and dynamics studies of transferases” 2012

Research Projects

International Projects

Granted in 2017

“Molecular Characterization and Drug Design Targeting Emerging Pathogenic Bacteria of Pakistan and Development of an Access Application for the Healthcare Industry” under the 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 the International Foundation for Science (IFS).

National Projects

Granted in 2011

“Acquirement of Start-up Facility for Computational Studies of Tyrosinase Inhibitors” funded by the Higher Education Commission (HEC), Pakistan.
Granted in 2011

“Docking and Molecular Dynamics Simulation Studies of Alpha Glycosidase Inhibitors” funded by the Higher Education Commission (HEC), Pakistan.
Granted in 2012

Project granted on Molecular Dynamics Simulation Studies of Caspase funded by the Higher Education Commission (HEC), Pakistan.
Submitted in 2014

Project submission on Computational Studies of Arsenic (III) Methyltransferase to the Higher Education Commission (HEC), Pakistan.
Granted in 2023 (Ongoing)

“Proteome-wide Characterization of Drug Targets and Efforts to Circumvent Antimicrobial Resistance (AMR) in Pakistan by Addressing Emerging Pathogens”.
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