Computational-experimental integration identifies potent carbohydrate-hydrolyzing enzyme inhibitors from Nardostachys jatamansi: molecular docking, dynamics and pharmacokinetic predictions

BackgroundCurrent α-glucosidase and α-amylase inhibitors demonstrate limited therapeutic efficacy and significant gastrointestinal side effects, necessitating identification of novel antidiabetic agents. This study employed integrated computational and experimental approaches to evaluate carbohydrat...

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Principais autores:	Muhammad Javid Iqbal, Iqra Malik, Gonzalo Bernal, Alexis M. Salas-Burgos, Luis A. Salazar
פורמט:	Artigo
שפה:	Inglês
יצא לאור:	Frontiers Media S.A. 2026-01-01
סדרה:	Frontiers in Pharmacology
נושאים:	molecular docking density functional theory enzyme inhibition natural products molecular dynamics simulation ADMET profiling
גישה מקוונת:	https://www.frontiersin.org/articles/10.3389/fphar.2025.1713452/full
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