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Hire Dr. Mushtaq A.
India
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Research Scientist || IIIM JAMMU || Machine Learning || Computer Aided Drug Design || Molecular Dynamics || Pharmacoinfo
Profile Summary
Subject Matter Expertise
Services
Writing
Medical Writing,
Technical Writing
Data & AI
Predictive Modeling,
Statistical Analysis,
Image Processing,
Image Analysis,
Algorithm Design-Non ML,
Algorithm Design-ML
Product Development
Product Evaluation
Work Experience
Project Scientist I
Indian Institute of Integrative Medicine
October 2024 - Present 
Project Scientist
National Institute of Pharmaceutical Education and Research
May 2024 - October 2034
Senior Research Fellow
National Institute of Pharmaceutical Education and Research
February 2023 - May 2024
PhD scholar / research assistant
NIPER Kolkata
August 2017 - June 2023
Education
Doctor of Philosophy (Pharmacoinformatics)
National Institute of Pharmaceutical Education and Research
January 2017 - July 2023
Masters of pharmacy (Pharmacoinformatics)
National Institute of Pharmaceutical Education and Research
June 2015 - June 2017
Bachelors of Pharmacy (Department of Pharmaceutical Sciences)
University of Kashmir
December 2010 - February 2015
Certifications
Publications
JOURNAL ARTICLE
Mushtaq Ahmad Wani, Pooja Kumari, Amit Nargotra (2025). Machine learning framework coupled with CADD for predicting sphingosine kinase 1 inhibitors . Computers in Biology and Medicine.
Mushtaq Ahmad Wani, Eman Shorog, Sabina Yasmin, Rani Mansuri, ARPIT RAJ, Dr. Mohammad Ovais Dar, Sumel Ashique, Qazi Mohammad Sajid Jamal, Ali Alharbi, Dr Md Yousuf Ansari (2025). 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 . Biochemistry and Biophysics Reports.
Mushtaq Ahmad Wani, Jonaid Ahmad Malik, Mohammad Ovais Dar, Prabha Garg, Javed N. Agrewala (2025). Drugs repurposed against morphine and heroin dependence: molecular docking, DFT, MM-GBSA-based MD simulation studies . In Silico Pharmacology.
Mushtaq Ahmad Wani, Aritra Banerjee, Prabha Garg (2025). Computer-Aided Drug Design Approaches for the Identification of Potent Inhibitors Targeting Elongation Factor G of Mycobacterium tuberculosis . Journal of Molecular Graphics and Modelling.
Mushtaq Ahmad Wani, Gauri Shankar, Prabhat Kumar, Sanskriti Rai, Aparajita Ghosh, Tanmaykumar Varma, Sunil Kumar, Upesh Mandloi, Gireesh Kumar Singh, Prabha Garg, et al. (2024). Discovery of novel hybrid tryptamine-rivastigmine molecules as potent AChE and BChE inhibitors exhibiting multifunctional properties for the management of Alzheimer’s disease . European Journal of Medicinal Chemistry.
Mushtaq Ahmad Wani, Nitin Wankhade, Anju Sharma, Aritra Banerjee, Prabha Garg (2024). Predictive Modeling and Drug Repurposing for Type-II Diabetes . ACS Medicinal Chemistry Letters.
Kumar, Navneet, Wani, Mushtaq Ahmad, Raje, Chaaya Iyengar, Garg, Prabha (2024). Unlocking translational machinery for antitubercular drug development . Trends in Biochemical Sciences.
Mushtaq Ahmad Wani, Lakshmi Mounika Kelam, Devendra K. Dhaked (2023). An update on ATP synthase inhibitors: A unique target for drug development in M. tuberculosis . Progress in Biophysics and Molecular Biology.
Mushtaq Ahmad Wani, Devendra Kumar Dhaked (2022). Targeting the cytochrome bc1 complex for drug development in M. tuberculosis: review . Molecular Diversity.
Mushtaq Ahmad Wani, Kuldeep K. Roy (2022). Development and validation of consensus machine learning-based models for the prediction of novel small molecules as potential anti-tubercular agents . Molecular Diversity.
Wani, Mushtaq Ahmad, Dhaked, Devendra Kumar (2022). Targeting the cytochrome <i>bc</i><sub><i>1</i></sub> complex for drug development in <i>M. tuberculosis</i>: review . Molecular Diversity.
Mushtaq Ahmad Wani, Prabha Garg, Kuldeep K. Roy (2021). Machine learning-enabled predictive modeling to precisely identify the antimicrobial peptides . Medical & Biological Engineering & Computing.
Mushtaq Ahmad Wani, Supriya Sharma, Sharad Wakode, Anjali Sharma, Nisha Nair, Mahaveer Dhobi, Faheem Hyder Pottoo(2020). Effect of environmental toxicants on neuronal functions . Environmental Science and Pollution Research. 27. (36). p. 44906--44921. Springer Science and Business Media {LLC}
Mushtaq Ahmad Wani, Ashis Roy, Mrinalkanti Kundu, PhD, Pranab Dhar, Arnish Chakraborty, Soumen Mukherjee, Jayatri Naskar, Chhanda Rarhi, Rajib Barik, Susanta Kumar Mondal, et al. (2020). Novel Pyrimidinone Derivatives Show Anticancer Activity and Induce Apoptosis: Synthesis, SAR and Putative Binding Mode . ChemistrySelect.
Mushtaq Ahmad Wani, Faizana Fayaz, Faheem Hyder Pottoo, Sadat Shafi, Sharad Wakode, Anjali Sharma(2020). Denouementof Chemicals on Amyotrophic Lateral Sclerosis: Is Green Chemistry the Answer . Medicinal Chemistry. 16. Bentham Science Publishers Ltd.
Mushtaq Ahmad Wani, Kuldeep K. Roy (2020). Emerging opportunities of exploiting mycobacterial electron transport chain pathway for drug-resistant tuberculosis drug discovery . Expert Opinion on Drug Discovery.
Wani, Mushtaq A and Roy, Kuldeep K(2020). Using Cryo-EM Structure of the Mycobacterial Cytochrome bcc-aa3 Supercomplex to Decrypt the Binding Mechanism of its Substrate (s) and Known Inhibitors. Available at SSRN 3530856.
Roy, Ashis, Kundu, Mrinalkanti, Dhar, Pranab, Chakraborty, Arnish, Mukherjee, Soumen, Naskar, Jayatri, Rarhi, Chhanda, Barik, Rajib, Mondal, Susanta Kumar, Wani, Mushtaq Ahmad, et al. (2020). Novel Pyrimidinone Derivatives Show Anticancer Activity and Induce Apoptosis: Synthesis, SAR and Putative Binding Mode . ChemistrySelect.
REVIEW
Mushtaq Ahmad Wani, Navneet Kumar, Chaaya Iyengar Raje, Prabha Garg (2024). Unlocking translational machinery for antitubercular drug development . Trends in Biochemical Sciences.
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