Identification of Novel Type Three Secretion System (T3SS) Inhibitors by Computational Methods and Anti-Salmonella Evaluations

Yonghui Wang, Meihui Hou, Zhaodong Kan,Guanghui Zhang, Yunxia Li,Lei Zhou,Changfa Wang

FRONTIERS IN PHARMACOLOGY(2021)

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摘要
Three type III secretion system (T3SS) inhibitors (compounds 5, 19, and 32) were identified by virtual screening and biological evaluation. These three compounds were evaluated against a panel of Salmonella species strains including S. enteritidis, S. typhi, S. typhimurium, S. paratyphi, and S. abortus equi, and their minimum inhibitory concentrations ranged from 1 to 53 mu g/ml. Especially, these compounds showed comparable activity as the of the positive control gatifloxacin towards S. abortus equi. The present results suggest that these new T3SS inhibitors could be used as a potential lead molecule for drug development of anti-Salmonella.
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关键词
type III secretion system inhibitor, virtual screening, molecular docking, Salmonella species, anti-bacterial activity
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