ISSN : 2663-2187

COMPUTATIONAL DRUG REPURPOSING OF FDA APPROVED COMPOUNDS TARGETING EGFR

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Pallavi Gudupalli , Keerthana Bathala , Jyoshna Pollapu , Charmila Thirupathuru , Saritha Karnati , Sarala Devi Tangirala , Asritha Kandukuri , Rajitha Galla
» doi: 10.48047/AFJBS.6.14.2024.10105-10120

Abstract

Drug repurposing also referred to as drug repositioning, involves identifying new therapeutic uses for existing or abandoned medications. It is cost, time effective and with known safety profiles. In the growing prevalence of cancer and the timeconsuming process of developing new drugs, this emerges as a promising strategy in discovering novel therapeutic activities and overcoming challenges in cancer therapy. This study employed molecular docking approach to evaluate 2023 FDA-approved drugs for their potential in targeting Epidermal Growth Factor Receptor (EGFR) pathway. Ligands were selected based on their similarity in mechanism of action to known cancer pathways, and docking was performed using AutoDock Vina. Among the docked drugs, four showed higher binding affinity than a selected standard ligand, and another four exhibited similar binding affinity. Further pre-clinical and clinical evaluation of these promising candidates could help in the discovery of repurposed drugs for cancer therapy.

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