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: Wang, Yonghui, Hou, Meihui, Kan, Zhaodong, Zhang, Guanghui, Li, Yunxia, Zhou, Lei, Wang, Changfa
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2021
Materias:
Pharmacology
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8635108/
https://www.ncbi.nlm.nih.gov/pubmed/34867388
http://dx.doi.org/10.3389/fphar.2021.764191
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author Wang, Yonghui
Hou, Meihui
Kan, Zhaodong
Zhang, Guanghui
Li, Yunxia
Zhou, Lei
Wang, Changfa
author_facet Wang, Yonghui
Hou, Meihui
Kan, Zhaodong
Zhang, Guanghui
Li, Yunxia
Zhou, Lei
Wang, Changfa
author_sort Wang, Yonghui
collection PubMed
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.
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spelling pubmed-86351082021-12-02 Identification of Novel Type Three Secretion System (T3SS) Inhibitors by Computational Methods and Anti-Salmonella Evaluations Wang, Yonghui Hou, Meihui Kan, Zhaodong Zhang, Guanghui Li, Yunxia Zhou, Lei Wang, Changfa Front Pharmacol Pharmacology 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. Frontiers Media S.A. 2021-11-16 /pmc/articles/PMC8635108/ /pubmed/34867388 http://dx.doi.org/10.3389/fphar.2021.764191 Text en Copyright © 2021 Wang, Hou, Kan, Zhang, Li, Zhou and Wang. https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.
spellingShingle Pharmacology
Wang, Yonghui
Hou, Meihui
Kan, Zhaodong
Zhang, Guanghui
Li, Yunxia
Zhou, Lei
Wang, Changfa
Identification of Novel Type Three Secretion System (T3SS) Inhibitors by Computational Methods and Anti-Salmonella Evaluations
title 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_short 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
topic Pharmacology
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8635108/
https://www.ncbi.nlm.nih.gov/pubmed/34867388
http://dx.doi.org/10.3389/fphar.2021.764191
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