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A Combination of Pharmacophore Generation, Ligand-based Virtual Screening, Atom-based 3D-QSAR, and Molecular Docking Studies on Febuxostat-based Amides Analogues as Anti-inflammatory Agents.
Chitre TS, Bhatambrekar AL, Hirode PV, Thorat SB, Hajare SG, Garud DR, Jagdale SM, Asgaonkar KD. Chitre TS, et al. Among authors: bhatambrekar al. Curr Drug Discov Technol. 2025;22(1):e110324227883. doi: 10.2174/0115701638281229240226101906. Curr Drug Discov Technol. 2025. PMID: 38485685
2,4,6-Trimethoxy chalcone derivatives: an integrated study for redesigning novel chemical entities as anticancer agents through QSAR, molecular docking, ADMET prediction, and computational simulation.
Chitre TS, Mandot AM, Bhagwat RD, Londhe ND, Suryawanshi AR, Hirode PV, Bhatambrekar AL, Choudhari SY. Chitre TS, et al. Among authors: bhatambrekar al. J Biomol Struct Dyn. 2024 Feb 7:1-24. doi: 10.1080/07391102.2024.2309644. Online ahead of print. J Biomol Struct Dyn. 2024. PMID: 38321946