PCMD Faculty
Prof. Dr. Zaheer Ul-Haq, 🇫🇷🇸🇨
Fulbright & Alexander von Humboldt Fellow, FCSP
Area(s) of Research:
Computational Medicinal Chemistry
Curriculum Vitae
Zaheer Ul-Haq is a distinguished Professor of Computational Medicinal Chemistry. He is the founder and head of Pakistan’s premier Computational Chemistry Laboratory and is internationally recognized for his contributions to computer-aided drug design, molecular dynamics simulations, protein–ligand interactions, virtual screening, pharmacophore modeling, and AI-assisted drug discovery.
His research focuses on developing computational strategies for the discovery of novel therapeutics against major diseases including Alzheimer’s disease, cancer, hepatitis, hypertension, immunosuppression, and leishmaniasis. His group integrates molecular modeling, ADMET profiling, biomolecular simulations, and structure-based drug design to accelerate translational research in molecular medicine.
Prof. Zaheer is among the rare scholars to have received both the prestigious Fulbright Program Fellowship (2007) and the Alexander von Humboldt Foundation Fellowship (2010). He has also been elected Fellow of the Pakistan Academy of Sciences and Fellow of the Royal Society of Chemistry (FRSC). He has published more than 350 research articles with over 7,000 citations and an H-index above 40, and a cumulative impact factor exceeding 1100. He holds five U.S. patents, and has supervised around 70 M.Phil. and Ph.D. students in Computational Chemistry. In addition, he serves as the editor of the internationally recognized book series “Frontiers in Computational Chemistry”.
His research focuses on developing computational strategies for the discovery of novel therapeutics against major diseases including Alzheimer’s disease, cancer, hepatitis, hypertension, immunosuppression, and leishmaniasis. His group integrates molecular modeling, ADMET profiling, biomolecular simulations, and structure-based drug design to accelerate translational research in molecular medicine.
Prof. Zaheer is among the rare scholars to have received both the prestigious Fulbright Program Fellowship (2007) and the Alexander von Humboldt Foundation Fellowship (2010). He has also been elected Fellow of the Pakistan Academy of Sciences and Fellow of the Royal Society of Chemistry (FRSC). He has published more than 350 research articles with over 7,000 citations and an H-index above 40, and a cumulative impact factor exceeding 1100. He holds five U.S. patents, and has supervised around 70 M.Phil. and Ph.D. students in Computational Chemistry. In addition, he serves as the editor of the internationally recognized book series “Frontiers in Computational Chemistry”.




