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

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. abor...

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Autores principales:	Yonghui Wang, Meihui Hou, Zhaodong Kan, Guanghui Zhang, Yunxia Li, Lei Zhou, Changfa Wang
Formato:	article
Lenguaje:	EN
Publicado:	Frontiers Media S.A. 2021
Materias:	type III secretion system inhibitor virtual screening molecular docking Salmonella species anti-bacterial activity Therapeutics. Pharmacology RM1-950
Acceso en línea:	https://doaj.org/article/1b1730a2dae54f99bd2132a4ddbe0c4f
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spelling	oai:doaj.org-article:1b1730a2dae54f99bd2132a4ddbe0c4f2021-11-16T06:14:36ZIdentification of Novel Type Three Secretion System (T3SS) Inhibitors by Computational Methods and Anti-Salmonella Evaluations1663-981210.3389/fphar.2021.764191https://doaj.org/article/1b1730a2dae54f99bd2132a4ddbe0c4f2021-11-01T00:00:00Zhttps://www.frontiersin.org/articles/10.3389/fphar.2021.764191/fullhttps://doaj.org/toc/1663-9812Three 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 μg/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.Yonghui WangMeihui HouZhaodong KanGuanghui ZhangYunxia LiLei ZhouChangfa WangFrontiers Media S.A.articletype III secretion system inhibitorvirtual screeningmolecular dockingSalmonella speciesanti-bacterial activityTherapeutics. PharmacologyRM1-950ENFrontiers in Pharmacology, Vol 12 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	type III secretion system inhibitor virtual screening molecular docking Salmonella species anti-bacterial activity Therapeutics. Pharmacology RM1-950
spellingShingle	type III secretion system inhibitor virtual screening molecular docking Salmonella species anti-bacterial activity Therapeutics. Pharmacology RM1-950 Yonghui Wang Meihui Hou Zhaodong Kan Guanghui Zhang Yunxia Li Lei Zhou Changfa Wang Identification of Novel Type Three Secretion System (T3SS) Inhibitors by Computational Methods and Anti-Salmonella Evaluations
description	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 μg/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.
format	article
author	Yonghui Wang Meihui Hou Zhaodong Kan Guanghui Zhang Yunxia Li Lei Zhou Changfa Wang
author_facet	Yonghui Wang Meihui Hou Zhaodong Kan Guanghui Zhang Yunxia Li Lei Zhou Changfa Wang
author_sort	Yonghui Wang
title	Identification of Novel Type Three Secretion System (T3SS) Inhibitors by Computational Methods and Anti-Salmonella Evaluations
title_short	Identification of Novel Type Three Secretion System (T3SS) Inhibitors by Computational Methods and Anti-Salmonella Evaluations
title_full	Identification of Novel Type Three Secretion System (T3SS) Inhibitors by Computational Methods and Anti-Salmonella Evaluations
title_fullStr	Identification of Novel Type Three Secretion System (T3SS) Inhibitors by Computational Methods and Anti-Salmonella Evaluations
title_full_unstemmed	Identification of Novel Type Three Secretion System (T3SS) Inhibitors by Computational Methods and Anti-Salmonella Evaluations
title_sort	identification of novel type three secretion system (t3ss) inhibitors by computational methods and anti-salmonella evaluations
publisher	Frontiers Media S.A.
publishDate	2021
url	https://doaj.org/article/1b1730a2dae54f99bd2132a4ddbe0c4f
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Identification of Novel Type Three Secretion System (T3SS) Inhibitors by Computational Methods and Anti-Salmonella Evaluations

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