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@article{184838,
        author = {Mr.Amol V. Jadhav and Ms. Vaishnavi B. Patil and Mr.Nilesh K. Patil and Ms. Karuna H. Badade and Ms. Vaishnavi B. Sonavane and Mr. Sanaulla H. Naikwadi and Mr. Pravin M. Burungale and Mr. Jagdish S. Belekar},
        title = {Repurposing the Androgen Receptor Agonist Fluoxymesterone for Alzheimer’s Disease via NMDA Receptor Inhibition: A Morgan Fingerprinting and Molecular Docking Approach},
        journal = {International Journal of Innovative Research in Technology},
        year = {2025},
        volume = {12},
        number = {4},
        pages = {3419-3430},
        issn = {2349-6002},
        url = {https://ijirt.org/article?manuscript=184838},
        abstract = {Glutamate-induced excitotoxicity through overactivation of the NMDA receptor is frequently the cause of Alzheimer's disease (AD), a progressive neurodegenerative illness characterised by cognitive decline and neuronal death. Because memantine, an NMDA receptor antagonist, has limited effectiveness, stronger substitutes are being sought after. In order to find FDA-approved medications with possible NMDA receptor inhibitory activity, this study used a drug repurposing strategy that combined structure-based molecular docking with ligand-based screening using Morgan fingerprinting. The lead compound, memantine, directed the selection of structurally comparable candidates from a database that was carefully curated. Out of the 20 medications that made the short list, the steroidal androgen receptor agonist fluoxymesterone showed the highest binding affinity (–8.0 kcal/mol) to the NMDA receptor at pocket C1, outperforming memantine (–5.1 kcal/mol). The NMDA receptor structure's suitability for docking studies was validated (PDB ID: 5IPQ). Fluoxymesterone has good pharmacokinetic qualities, such as high gastrointestinal absorption, blood-brain barrier permeability, and adherence to Lipinski's and other drug-likeness rules, according to ADME and drug-likeness analysis conducted using SwissADME. According to these results, fluoxymesterone may have off-target neuroprotective effects by inhibiting NMDA receptors and has potential as a repurposed AD treatment candidate. The potential of computational repurposing techniques to speed up drug discovery for complicated neurological disorders is highlighted by this study.},
        keywords = {Alzheimer’s Disease,Drug Repurposing,NMDA Receptor Inhibition, Fluoxymesterone, Molecular Docking.},
        month = {September},
        }