In silico and in vitro evaluation of flavonoid derivatives for diabetes management : molecular dynamics, and enzyme kinetics for pancreatic alpha-amylase and alpha-glucosidase

McMillan, JamieBester, Megan JeanApostolides, Zeno2026-02-252025-11McMillan, J., Bester, M.J. & Apostolides, Z. In silico and in vitro evaluation of flavonoid derivatives for diabetes management: molecular dynamics, and enzyme kinetics for pancreatic alpha-amylase and alpha-glucosidase. In Silico Pharmacology 13, 187 (2025). https://doi.org/10.1007/s40203-025-00493-4 .2193-9616 (online)10.1007/s40203-025-00493-4http://hdl.handle.net/2263/108638DATA AVAILABILITY : Datasets from the current study are available from the corresponding author upon request.Please read abstract in the article.en© The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature 2025. The original publication is available at : https://link.springer.com/journal/40203.Molecular dockingMolecular dynamicsMMGBSAAmylaseGlucosidaseFlavonoidsIn silico and in vitro evaluation of flavonoid derivatives for diabetes management : molecular dynamics, and enzyme kinetics for pancreatic alpha-amylase and alpha-glucosidasePostprint Article