Journal
FRONTIERS IN PHARMACOLOGY
Volume 12, Issue -, Pages -Publisher
FRONTIERS MEDIA SA
DOI: 10.3389/fphar.2021.764191
Keywords
type III secretion system inhibitor; virtual screening; molecular docking; Salmonella species; anti-bacterial activity
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Funding
- National Natural Science Foundation of China [31671287]
- Taishan Leading Industry TalentsAgricultural Science of Shandong Province [LJNY201713]
- Shandong Province Modern Agricultural Technology System Donkey Industrial Innovation Team [SDAIT-27]
- Open Project of Shandong Collaborative Innovation Center for Donkey Industry Technology [3193308]
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Three type III secretion system inhibitors were identified through virtual screening and biological evaluation, showing potential as lead molecules for anti-Salmonella drug development. These compounds exhibited comparable activity to the positive control gatifloxacin against Salmonella abortus equi strains.
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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