Mushtaq Ahmad Wani
Also known as: Dr. Mushtaq Ahmad Wani
Indian Institute of Integrative Medicine, National Institute of Pharmaceutical Education and Research, University of Kashmir
0000-0002-8590-7079
About
I am a Project Scientist at CSIR-IIIM Jammu, specializing in Computer-Aided Drug Design (CADD) and Machine Learning. With over 7 years of research experience, I focus on integrating AI frameworks with structural bioinformatics to accelerate drug discovery. Academic & Professional BackgroundI earned my Ph.D. in Pharmacoinformatics from NIPER-Kolkata (2023), where I focused on mycobacterial cytochrome inhibitors. I hold an M.S. (Pharm.) from NIPER-S.A.S. Nagar, specializing in ML-based peptide prediction. I ranked AIR-5 in the NIPER-Ph.D. Entrance Exam. Research & ImpactExpertise: My technical proficiency includes Molecular Dynamics (GROMACS, Schrödinger), Docking, Virtual Screening, and ML algorithm development using Python and R. Publications: I have authored 18 peer-reviewed articles with a total Impact Factor of 57.1. Peer Review: I am a verified reviewer for Springer, Elsevier, and Taylor & Francis, with 26 completed reviews and an Excellence Award from the South African Journal of Botany (2026). Recognition: I received the first prize for my poster presentation at AI-SPARK 2023. My work bridges the gap between computational modeling and in vitro validation to identify potent inhibitors for targets such as SphK1, CXCR4, and Mycobacterium tuberculosis.
Research Interests:
Development of machine learning models in the pharmaceutical domain.
Applications of artificial intelligence in drug discovery and healthcare.
Molecular modeling to study molecular interactions and drug behavior.
Pharmacophore mapping for drug design and target identification.
Employment
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Indian Institute of Integrative Medicine Project Scientist I2024 - Present
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National Institute of Pharmaceutical Education and Research Project Scientist2024 - 2034
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National Institute of Pharmaceutical Education and Research Senior Research Fellow2023 - 2024
Education
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National Institute of Pharmaceutical Education and Research Doctor of Philosophy2017 - 2023
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National Institute of Pharmaceutical Education and Research Masters of pharmacy2015 - 2017
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University of Kashmir Bachelors of Pharmacy2010 - 2015
Projects & Funding
Projects & funding information is unavailable.
Publications (18)
- An integrated machine learning and computational framework with experimental validation for the identification of novel CXCR4 inhibitors Save
- Integrating in silico and in vitro approaches for identifying potential TNF-α inhibitors Save
- Machine learning framework coupled with CADD for predicting sphingosine kinase 1 inhibitors Save
- Targeting tryparedoxin-dependent peroxidase (TXNPx) enzyme to identify repurposing drug candidates from FDA-approved drugs and natural products using virtual screening, ADME/Tox and MD simulations Save
- Drugs repurposed against morphine and heroin dependence: molecular docking, DFT, MM-GBSA-based MD simulation studies Save
- Computer-Aided Drug Design Approaches for the Identification of Potent Inhibitors Targeting Elongation Factor G of Mycobacterium tuberculosis Save
- Discovery of novel hybrid tryptamine-rivastigmine molecules as potent AChE and BChE inhibitors exhibiting multifunctional properties for the management of Alzheimer’s disease Save
- Unlocking translational machinery for antitubercular drug development Save
- Predictive Modeling and Drug Repurposing for Type-II Diabetes Save
- An update on ATP synthase inhibitors: A unique target for drug development in M. tuberculosis Save