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Dr. Rehan Zafar Paracha
Assistant Professor
Department of Computational Sciences

National University of Sciences and Technology (NUST)
Research Center of Modeling and Simulation(RCMS), Academic-I Building, NUST Campus, H-12, Islamabad Pakistan
Tel : +92-51-9085-5730

Drug Discovery and Development

PhD (Virology & Immunology), M.Phil (Pharmaceutical Chemistry),  B.Pharmacy

Dr. Rehan Zafar is working as Assistant Professor at Research Center for Modeling and Simulation, National University of Sciences and Technology (NUST), Pakistan, since January 2016. He received his Bachelor degree in Bachelor of Pharmacy (B.Pharmacy)in 2003, Mphil in Pharamceutical Chemistry in 2008 and PhD in Virology and Immunology from NUST, Pakistan in 2015. He has wide experience of academics and industry of several years. The current research interests of Dr. Rehan Zafar Paracha are:

•    Drug Discovery and Development
•    Peptide based Inhibitors
•    Immunoinformatics
•    Translational Bioinformatics
•    Microarrays and Next Generation Sequencing (NGS)
•    Computational vaccinology
•    Systems Biology
•    Pharmacology
•    Pharmaceutical Chemistry
•    Structural Biology

​Dr. Rehan Zafar has done significant research work and published several top quality international journal papers. He has also secured funding for project soon after his PhD. His publication as first author has also been awarded with "Best Research Paper Award" 2014-2015 by Higher Education Commission (HEC), Pakistan. He is supervising and co-supervising several students of MS and PhD.

The expertise of Dr. Rehan Zafar is in the determination of protein structures by computational modelling and simulation with a focus on drug design and discovery processes. His research aim is to develop a fundamental understanding of biological pathways by using the systems biology approaches to find out new drug targets. Primarily, his interest is in systems biology, comparative modelling, protein-protein interactions, Molecular mechanics and simulations, interactions of small organic molecules with proteins and designing of new ones, and how assembled proteins can be perturbed. Processes and systems investigated by him include structural modifications of kinases due to the phosphorylations and their role in TLR4 signalling pathway in the case of sepsis (with a particular interest in how this can be modulated), docking of small molecules, comparative analysis between binding modes of proteins to proteins and small molecules to proteins, protein aggregation, and drug designing and discovery.  More broader applications include prediction of properties and behaviour of biological systems, in particular for the drug targeting. The development of these predictive approaches to predict, optimise, and/or control the macroscopic properties and behaviour of biological systems and diseases on a rational basis, thus reducing both the factorial space and experimental effort to fewer and better experiments.


  • Dar, Hamza Arshad, Tahreem Zaheer, Rehan Zafar Paracha, and Amjad Ali. Structural analysis and insight into Zika virus Ns5 mediated interferon inhibition.Ïnfection, Genetics and Evolution (2017).
  • Aqsa Ikram, Ayesha Obaid, Faryal Mehwish Awan, Rumeza Hanif, Anam Naz, Rehan Zafar Paracha, Amjad Ali, Hussnain Ahmed Janjua, Identification of drug resistance and immune-driven variations in hepatitis C virus (HCV) NS3/4A, NS5A and NS5B regions reveals a new approach toward personalized medicine, Antiviral Research, Volume 137, January 2017, Pages 112-124.
  • Anwar, A., Murad, S., Gul, S., Rehan Zafar Paracha, Ali, A. and Bloodsworth, P., Identification of Novel Mutations in the CDKN1B Gene in Invasive Carcinoma of Breast. International Journal of Engineering Applied Sciences and Technology, 2016, Vol. 1, Issue 10, ISSN No. 2455-2143, Pages 19-25
  • Khalid R, Afzal M, Khurshid S, Rehan Zafar Paracha, Khan IH, et al. (2016) Fusion Molecules of Heat Shock Protein HSPX with Other Antigens of Mycobacterium tuberculosis Show High Potential in Serodiagnosis of Tuberculosis. PLoS ONE 11(9): e0163349. doi: 10.1371/journal.pone.0163349
  • Saeed MT, Ahmad J, Kanwal S, Holowatyj AN, Sheikh IA, Rehan Zafar Paracha , Shafi A, Siddiqa A, Bibi Z, Khan M, Ali A. (2016) Formal modeling and analysis of the hexosamine biosynthetic pathway: role of O-linked N-acetylglucosamine transferase in oncogenesis and cancer progression. PeerJ 4:e2348
  • Hassan A, Naz A, Obaid A, Rehan Zafar Paracha, Naz K, Awan FM, Muhmmad SA, Janjua HA, Ahmad J, Ali A. Pangenome and immuno-proteomics analysis of Acinetobacter baumannii strains revealed the core peptide vaccine targets. BMC genomics. 2016 Sep 15;17(1):732.
  • Rehman, Z., Rehan Zafar Paracha, Amir, U., Niazi, U. H., & Fahim, A. Characterization of evolutionary changes in hemagglutinin of influenza H1N1 virus: a computational analysis. VirusDisease, 1-7.
  • Structural Characterization of ANGPTL8 (Betatrophin) With its Interacting Partner Lipoprotein Lipase Accepted in Computational Biology and Chemistry
  • Madeeha Afzal, Sana Khurshid, Ruqyya Khalid, Rehan Zafar Paracha, Imran H. Khan, M. Waheed Akhtar. Fusion of selected regions of mycobacterial antigens for enhancing sensitivity in serodiagnosis of tuberculosis Journal of Microbiological Methods. Volume 115, August (2015), Pages 104-111, ISSN 0167-7012
  • Ghulam Abbas Miana, Muhammad Riaz, Syed Shahzad-ul-Hussan, Rehan Zafar Paracha and Usman Zafar Paracha. Prostratin: An Overview. Mini-Reviews in Medicinal Chemistry. 15(13)- Pages 1122-1130, (2015).
  • Aslam, B., J. Ahmad, A. Ali, Rehan Zafar Paracha, S. H. Tareen, S. Khusro, T. Ahmad, S. A. Muhammad, U. Niazi, and V. Azevedo. “Structural modeling and analysis of dengue-mediated inhibition of interferon signaling pathway” Genetics and molecular research: GMR 14, no. 2 (2015): 4215.
  • Obaid, Ayesha, Jamil Ahmad, Anam Naz, Faryal Mehwish Awan, Rehan Zafar Paracha, Samar Hayat Khan Tareen, Sadia Anjum, Abida Raza, Jan Baumbach, and Amjad Ali. Modeling and analysis of innate immune responses induced by the host cells against hepatitis C virus infection. Integrative Biology 7, no. 5 (2015): 544-559.
  • Naz, Anam, Faryal Mehwish Awan, Ayesha Obaid, Syed Aun Muhammad, Rehan Zafar Paracha, Jamil Ahmad, and Amjad Ali. Identification of putative vaccine candidates against Helicobacter pylori exploiting exoproteome and secretome: A reverse vaccinology based approach. Infection, Genetics and Evolution 32 (2015): 280-291.
  • Aslam, Babar, Jamil Ahmad, Amjad Ali, Rehan Zafar Paracha, Samar Hayat Khan Tareen, Umar Niazi, and Tariq Saeed. On the modelling and analysis of the regulatory network of dengue virus pathogenesis and clearance. Computational biology and chemistry 53 (2014): 277-291.
  • Awan, Faryal Mehwish, Sadia Anjum, Ayesha Obaid, Amjad Ali, Rehan Zafar Paracha, and Hussnain Ahmed Janjua. In-silico analysis of claudin-5 reveals novel putative sites for post-translational modifications: Insights into potential molecular determinants of bloodâASbrain barrier breach during HIV-1 infiltration. Infection, Genetics and Evolution 27 (2014): 355-365.
  • Rehan Zafar Paracha, Jamil Ahmad, Amjad Ali, Riaz Hussain, Umar Niazi, Samar Hayat Khan Tareen, and Babar Aslam. Formal Modelling of Toll like Receptor 4 and JAK/STAT Signalling Pathways: Insight into the Roles of SOCS-1, Interferon- and Proinflammatory Cytokines in Sepsis. PloS one 9, no. 9 (2014): e108466.
  • Muhammad, Syed Aun, Amjad Ali, Tariq Ismail, Rehan Zafar, Umair Ilyas, and Jamil Ahmad. In silico study of anti-carcinogenic lysyl oxidase-like 2 inhibitors. Computational biology and chemistry 51 (2014): 71-82.
  • Rehan Zafar Paracha, Amjad Ali, Jamil Ahmad, Riaz Hussain, Umar Niazi, and Syed Aun Muhammad. Structural evaluation of BTK and PKC mediated phosphorylation of MAL at positions Tyr86 and Tyr106. Computational biology and chemistry 51 (2014): 22-35.
  • Khan, Muhammad Imran M., Muhammad Sajjad, Saima Sadaf, Rehan Zafar, Umer HK Niazi, and Muhammad Waheed Akhtar. The nature of the carbohydrate binding module determines the catalytic efficiency of xylanase Z of Clostridium thermocellum. Journal of biotechnology 168, no. 4 (2013): 403-408.
  • Sajjad, Muhammad, M. Imran Mahmood Khan, Rehan Zafar, Sajjad Ahmad, Umar HK Niazi, and Muhammad Waheed Akhtar. Influence of positioning of carbohydrate binding module on the activity of endoglucanase CelA of Clostridium thermocellum. Journal of biotechnology 161, no. 3 (2012): 206-212.
  • Paracha, Usman Z., Rehan Z. Paracha, Waseem Hassan, and Ghulam Murtaza. Examining the Efficacy of Sorafenib-a Meta-Analysis. Advances in Clinical and Experimental Medicine 20, no. 3 (2011): 335-342.


Conferences and Talks

  • Workshop on “Applying Quantitative Research Techniques using SPSS” organized by COMSATS Institute of Information Technology, Islamabad.
  • Appreciation certificate for organizing the workshop on “ Omics of Begoma Viruses and its impact on National Economy” held on March 25-27, 2015 at Department of Plant Biotechnology, ASAB,NUST.
  • Abstract presented at “1st International Conference on Recent Innovations in Pharmaceutical Sciences” organized by Riphah University, Islamabad.Conference participation at PAK-CHINA Business Forum 2015, Convened by COMSATS Instituteof Information Technology, Islamabad.
  • Workshop on “Next generation Sequencing (NGS) Data Analysis” organized by COMSATS, Islamabad.
  • Workshop on “Innovations in Drug Discovery, Delivery and Pharmacy Practice” organized by COMSTECH, Islamabad.
  • Conference participation in 7th international & 17th National Chemistry Conference, February 26-28, 2007 at Department of Chemistry, Gomal University.
  • Conference participation in 2nd One Day National Workshop, “Biotechnological Techniques for Welfare of Human Beings", Nov. 2007, at Faculty of Pharmacy, Gomal University.
  • Talk about the “Systems Biology and medicines” at Pak-China Business Forum Islamabad organized by Comsats Institute of Information Technology, Islamabad (2015).
  • 1st annual HCV Management Symposium 2011. Ssdia Tahir, M.Sohail Afzal, Rehan Zafar, Tahir Ahmad, Jean Dubuisson, Ishtiaq Qadri. Development of HCV Pseudotype Particles and Cell Culture Model System “Intergenic Chimera” from Local Strain. (2011)
  • International Conference on Applied Genetics & Biotechnology. Rehan Zafar Paracha, Umar Hassan Khan Niazi, Waseem Akhtar Sham. Drug Designing: Homology Modelling and Docking Results of Protein Kinase C Delta. (2011)
  • Invited Talk at RIPS, Riphah University Islamabad on the "Computer Aided Drug Discovery and Development".


Rehan Zafar Paracha, A. Obaid and A. Ali, Chapter 3 - Phenotyping in Precision Medicine, In Progress and Challenges in Precision Medicine, edited by Mukesh Verma and Debmalya Barh, Academic Press, 2017, Pages 55-77, ISBN 9780128094112,
Keywords: Diseases; Expressivity; Penetrance; Phenotyping; Pleiotropy; Precision medicine

​1- Translational Bioinformatics Applications.
2- Advanced Computational Biology.
3- Anatomy and Physiology for CSE.

​Dr Rehan Zafar has a wide experience in the development and production of different pharmaceutical dosage forms at pharmaceutical industry.