Identification of potential human pancreatic α-amylase inhibitors from natural products by molecular docking, MM/GBSA calculations, MD simulations, and ADMET analysis.

Identification of potential human pancreatic α-amylase inhibitors from natural products by molecular docking, MM/GBSA calculations, MD simulations, and ADMET analysis.

Human pancreatic α-amylase (HPA), which works as a catalyst for carbohydrate hydrolysis, is one of the viable targets to control type 2 diabetes. The inhibition of α-amylase lowers blood glucose levels and helps to alleviate hyperglycemia complications. Herein, we systematically screened the potenti...

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Bibliographic Details
Main Authors:	Santosh Basnet, Madhav Prasad Ghimire, Tika Ram Lamichhane, Rajendra Adhikari, Achyut Adhikari
Format:	Article
Language:	English
Published:	Public Library of Science (PLoS) 2023-01-01
Series:	PLoS ONE
Online Access:	https://doi.org/10.1371/journal.pone.0275765

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