Molecular docking and simulation analysis of the FimH protein with secondary metabolites from the Garcinia species

藤黄属植物次生代谢产物与FimH蛋白的分子对接和模拟分析

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Abstract

It is of interest to document the molecular docking and simulation analysis of the FimH protein with 10 secondary metabolites from Garcinia species in the context of drug discovery for Urinary tract infections (UTIs). We report the optimal binding features of flavonoids with the FimH protein for further consideration in drug discovery.

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