プロフィール詳細

プロジェクトを作成

★★★★★

☆☆☆☆☆

★★★★★

☆☆☆☆☆

Dr. Mushtaq A.に依頼

India

Research Scientist || IIIM JAMMU || Machine Learning || Computer Aided Drug Design || Molecular Dynamics || Pharmacoinfo

プロフィール概要

I am a Pharmacoinformatics scientist with over 7 years of research experience in computer-aided drug design (CADD), machine learning, and molecular modeling. I specialize in applying AI-driven computational approaches to solve complex biological and pharmaceutical problems, from early-stage lead discovery to predictive modeling and target identification. With a PhD from NIPER Kolkata and a strong publication track record (15+ research papers, h-index 8, total citations 159), my work bridges the gap between computational drug discovery and practical applications in pharma R&D. My core expertise includes: Molecular docking, virtual screening, and dynamics simulations Development of machine learning models for bioactivity and drug repurposing Network pharmacology and systems biology for disease mechanism analysis In silico ADME/Tox profiling and lead optimization Tools: Schrödinger, GROMACS, AutoDock, PyMOL, Python, R, MATLAB, Discovery Studio I’ve worked on projects spanning tuberculosis, diabetes, cancer, and neurodegenerative diseases, with proven success in both academic and industrial collaborations. I'm also a certified peer reviewer and winner of multiple awards including 1st Prize in AI-SPARK 2023 Poster Presentation. Whether you're a research group, CRO, or biotech startup, I offer computational support on a project or contract basis for: Drug discovery pipelines Predictive modeling using ML/AI Molecular docking and simulations Data analysis and visualization Manuscript or grant preparation Let’s collaborate to accelerate your drug discovery efforts with precision, innovation, and scientific rigor. 📧 xxxxxxxxxxxxxxxxxxxxx 🌍 Based in Jammu & Kashmir, India | Available for remote projects worldwide

専門分野

• ☆ Molecular Modeling
• ☆ Molecular Docking
• ☆ Data Analysis
• ☆ Machine Learning
• ☆ Pharmacy
• ☆ Pharmacy Education
• ☆ Drug Discovery
• ☆ High Throughput Screening (HTS)
• ☆ Drug Target Identification
• ☆ Hit-to-Lead & Lead Optimization
• ☆ Drug Design
• ☆ Combinatorial Chemistry
• ☆ Structure-Activity Relationship (SAR) Studies

サービス

• Writing
• Data & AI
• Product Development

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

職務経験

Project Scientist I

Indian Institute of Integrative Medicine

10月 2024 - 現在

Project Scientist

National Institute of Pharmaceutical Education and Research

5月 2024 - 10月 2034

Senior Research Fellow

National Institute of Pharmaceutical Education and Research

2月 2023 - 5月 2024

PhD scholar / research assistant

NIPER Kolkata

8月 2017 - 6月 2023

学歴

Doctor of Philosophy (Pharmacoinformatics)

National Institute of Pharmaceutical Education and Research

1月 2017 - 7月 2023

Masters of pharmacy (Pharmacoinformatics)

National Institute of Pharmaceutical Education and Research

6月 2015 - 6月 2017

Bachelors of Pharmacy (Department of Pharmaceutical Sciences)

University of Kashmir

12月 2010 - 2月 2015

認定資格

• Reviewer Certificate

  Springer Nature

  3月 2025 - 現在

• Reviewer Certificate

  Springer Nature

  3月 2025 - 現在

• Peeref-certified reviewer.

  Peeref

  2月 2025 - 現在

• PhD

  NIPER Kolkata

  1月 2022 - 現在

出版物

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>_<i>1</i> 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 &amp; Biological Engineering &amp; 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). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 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.