Dr. Rana Rehan Khalid

Dr. Rana Rehan Khalid

Designation: Assistant Professor

National Centre for BioInformatics, Quaid-i-Azam University, Islamabad

Email address: ranakhalid@qau.edu.pk

Office Phone: +92-051 9064-4066

Postdoc:Albert Einstein College of Medicine, New York, USA.

PhD:COMSATS University Islamabad.

Fellowships: TUBITAK2216 Research Fellow (2019) Acibadem University Istanbul, Turkey.ERASMUS MUNDUS LEADERS Research Fellow (2018) University of Crete, Greece.

Other Links:

Research Gate: https://www.researchgate.net
Google Scholar: https://scholar.google.com

Research Interest's:-

My research interest lies in working on a range of projects related to structural and computational biology and their applications to drug discovery. We are focusing to unveil the queries regarding interdomain cross-talk of extracellular Immunoglobulin superfamily proteins which includes proven targets for the treatment of autoimmune diseases and cancer. We will leverage the current knowledge of protein binding pairs (for exp: IgSF: IgSF) to yield mutant molecules, with altered affinities and selectivities, for therapeutic applications (Biologics). We are also interested in pesticide/insecticide design for food security. A country like Pakistan, where agriculture is a major contributor to the economy (20% of GDP), and 61% of the population’s occupation is linked to agriculture cannot bear a threat to food security.

Total Publications:

Publications

  • Khalid, R.R., Maryam, A., Süleyman Selim ÇınaroÄŸlu, Siddiqi, A.R.*, Osman Ugur Sezerman* (2021). A recursive molecular docking coupled with energy-based pose-rescoring and MD simulations to identify hsGC βH-NOX allosteric activators for cardiovascular dysfunctions. Journal of Biomolecular Structure & Dynamics. IF-3.3
  • Khalid, R.R., Siddiqi, A.R.*, Efstratois Mylonas, Maryam, A., Michael Kokkinidis (2020). Probing the Structural Dynamics of Catalytic Domain of Human Soluble Guanylate Cyclase. Nature Scientific Reports. IF-4.379
  • Arooma Maryam, Khalid, R.R., Abdul Rauf Siddiqi*, Abdulilah ECE (2020). E-Pharmacophore Based Virtual Screening for Identification of Dual Specific PDE5A and PDE3A Inhibitors as Potential Leads Against Cardiovascular Diseases. Journal of Biomolecular Structure & Dynamics. IF-3.3
  • Arooma Maryam, Khalid, R.R., Sundeep Chaitanya Vedithi, Abdulilah ECE, Suleyman Selim ÇınaroÄŸlu, Abdul Rauf Siddiqi*, Tom L. Blundell* (2020). Exploring the structural basis of conformational heterogeneity and autoinhibition of human cGMP-specific Protein Kinase Iβ through computational modelling and biophysical approaches. Journal of Computational and Structural Biotechnology, 17, 378-389. IF-7.27
  • Khalid, R.R., Maryam, A., Fadouloglou, V., Siddiqi, A.R., Zhang, Y. (2019). Cryo-EM Density Map Fitting Driven In-Silico Structure of Human Soluble Guanylate Cyclase (hsGC) reveals functional aspects of inter-domain cross talk upon NO binding. Journal of Molecular Graphics and Modelling. IF-2.518
  • Khalid, R.R., Siddiqi, A.R.*, Efstratois Mylonas, Maryam, A., Michael Kokkinidis* (2019). Dynamic characterization of human Heme Nitric Oxide/Oxygen (HNOX) domain under the influence of gaseous ligands. International Journal of Molecular Sciences, 20(3), 698. IF-5.923
  • Maryam, A., Blundell, T.L., Siddiqi, A.R., Khalid, R.R., Alsulami, A., Pedro, T., Vedithi, S.C. (2018). The molecular organization of human cGMP specific phosphodiesterase 6 (PDE6): Structural implications of somatic mutations in cancer and retinitis pigmentosa. Journal of Computational and Structural Biotechnology, 17, 378-389. IF-7.27
  • Ul Qamar, M.T., Maryam, A., Muneer, I., Xing, F., Anwar, F., Khan, F.A., … Khalid, R.R., Siddiqi, A.R. (2019). Computational screening of medicinal plant phytochemicals to discover potent pan-serotype inhibitors against dengue virus. Nature Scientific Reports, 9, 1433. IF-4.379
  • Khalid, R.R., Tahir ul Qamar, M., Maryam, A., Ashique, A., Anwar, F., H Geesi, M., & Siddiqi, A. (2018). Comparative Studies of the Dynamics Effects of BAY60-2770 and BAY58-2667 Binding with Human and Bacterial H-NOX Domains. Molecules, 23(9), 2141. IF-4.41
  • Saleem, H., Maryam, A., Bokhari, S.A., Ashiq, A., Rauf, S.A., Khalid, R.R., Qureshi, F.A., Siddiqi, A.R. (2018). Design, synthesis, characterization and computational docking studies of novel sulfonamide derivatives. EXCLI Journal. DOI: 10.17179/excli2017-886. IF-4.06
  • Idrees, M., Siddiqi, A.R., Ajmal, M., Akram, M., Khalid, R.R., Hussain, A., Qamar, R., Bokhari, H. (2018). Decreased serum PON1 arylesterase activity in familial hypercholesterolemia patients with a mutated LDLR gene. Genetics and Molecular Biology. DOI: 10.1590/1678-4685-gmb-2016-0287. IF-1.57
  • Arif, I., Siddiqi, A.R., Ahmed, H., Afzal, M.I., Umer, M., Maryam, A., Khalid, R.R., Asif, S., Afzal, M.S., Shaheen, S., Rauf, S.A., Ozyalin, O., and Simsek, S.* (2018). A computational structural analysis of functional attributes of hypodermin A and B proteins: A way forward for vaccine development. Pakistan Journal of Pharmaceutical Sciences, 31(6), 2443-2451. IF-0.562
  • Maryam, A., Aslam, S., Saif, S., Aslam, T., Tusleem, T., Qamar, M.T., Abdullah, I., Mushtaq, A., Khalid, R.R., Siddiqi, A.R. (2017). Statistical Analysis of Risk Factors Affecting the Prognosis of Biliary Atresia in Infants. DOI: 10.26480/msp.02.2017.20.24
  • Ali, M., Mehmood, M.A., Hussain, K., Sehar, U., Khalid, R.R., Iqbal, Z. (2013). Functional annotation of the cda1 gene from Bacillus thuringiensis through homology modeling and molecular docking. Pakistan Journal of Life and Social Sciences, 11.

ENROLLED STUDENTS

MPhil

PhD

1

 

PRODUCED STUDENTS

MPhil

PhD

1.


Research Projects Completed

Research Projects in Progress

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