In silico docking and ADMET studies on clinical targets for type 2 diabetes correlated to in vitro inhibition of pancreatic alpha-amylase and alpha-glucosidase by rutin, caffeic acid, p-coumaric acid, and vanillin

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Springer

Abstract

Please read abstract in the article.

Description

DATA AVAILABILITY : No datasets were generated or analysed during the current study.

Keywords

Alpha-glucosidase, Caco2 cytotoxicity, Molecular docking, Molecular dynamics, Inhibition constant, Pancreatic alpha-amylase

Sustainable Development Goals

SDG-03: Good health and well-being

Citation

McMillan, J., Bester, M.J. & Apostolides, Z. In silico docking and ADMET studies on clinical targets for type 2 diabetes correlated to in vitro inhibition of pancreatic alpha-amylase and alpha-glucosidase by rutin, caffeic acid, p-coumaric acid, and vanillin. In Silico Pharmacology 13, 42 (2025). https://doi.org/10.1007/s40203-025-00324-6.