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  1. 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

    Article • Biochemistry and Biophysics Reports, September 2025, Elsevier

    Mr Mohammad Yousuf Ansari, Dr. MUSHTAQ AHMAD WANI

  2. Integrating in silico and in vitro approaches for identifying potential TNF-α inhibitors

    Article • International Journal of Biological Macromolecules, September 2025, Elsevier

    Dr. MUSHTAQ AHMAD WANI

  3. Machine learning framework coupled with CADD for predicting sphingosine kinase 1 inhibitors

    Article • Computers in Biology and Medicine, August 2025, Elsevier

    Dr. MUSHTAQ AHMAD WANI

  4. Computer-aided drug design approaches for the identification of potent inhibitors targeting elongation factor G of Mycobacterium tuberculosis

    Article • Journal of Molecular Graphics and Modelling, May 2025, Elsevier

    Dr. MUSHTAQ AHMAD WANI

  5. Drugs repurposed against morphine and heroin dependence: molecular docking, DFT, MM-GBSA-based MD simulation studies

    Article • In Silico Pharmacology, April 2025, Springer Science + Business Media

    Dr. MUSHTAQ AHMAD WANI

  6. Discovery of novel hybrid tryptamine-rivastigmine molecules as potent AChE and BChE inhibitors exhibiting multifunctional properties for the management of Alzheimer's disease

    Article • European Journal of Medicinal Chemistry, February 2025, Elsevier

    Dr. MUSHTAQ AHMAD WANI

  7. Predictive Modeling and Drug Repurposing for Type-II Diabetes

    Article • ACS Medicinal Chemistry Letters, October 2024, American Chemical Society (ACS)

    Dr. MUSHTAQ AHMAD WANI

  8. Unlocking translational machinery for antitubercular drug development

    Article • Trends in Biochemical Sciences, March 2024, Elsevier

    Dr. MUSHTAQ AHMAD WANI

  9. An update on ATP synthase inhibitors: A unique target for drug development in M. tuberculosis

    Article • Progress in Biophysics and Molecular Biology, April 2023, Elsevier

    Dr. MUSHTAQ AHMAD WANI

  10. Targeting the cytochrome bc1 complex for drug development in M. tuberculosis: review

    Article • Molecular Diversity, November 2021, Springer Science + Business Media

    Dr. MUSHTAQ AHMAD WANI

  11. Machine learning-enabled predictive modeling to precisely identify the antimicrobial peptides

    Article • Medical & Biological Engineering & Computing, October 2021, Springer Science + Business Media

    Dr. MUSHTAQ AHMAD WANI

  12. Development and validation of consensus machine learning-based models for the prediction of novel small molecules as potential anti-tubercular agents

    Article • Molecular Diversity, June 2021, Springer Science + Business Media

    Dr. MUSHTAQ AHMAD WANI

  13. Denouement of Chemicals on Amyotrophic Lateral Sclerosis: Is Green Chemistry the Answer

    Article • Medicinal Chemistry, November 2020, Bentham Science Publishers

    Dr. MUSHTAQ AHMAD WANI

  14. Effect of environmental toxicants on neuronal functions

    Article • Environmental Science and Pollution Research, September 2020, Springer Science + Business Media

    Dr. MUSHTAQ AHMAD WANI

  15. Novel Pyrimidinone Derivatives Show Anticancer Activity and Induce Apoptosis: Synthesis, SAR and Putative Binding Mode

    Article • ChemistrySelect, April 2020, Wiley

    Dr. MUSHTAQ AHMAD WANI

  16. Emerging opportunities of exploiting mycobacterial electron transport chain pathway for drug-resistant tuberculosis drug discovery

    Article • Expert Opinion on Drug Discovery, November 2019, Taylor & Francis

    Dr. MUSHTAQ AHMAD WANI