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通过计算方法和抗评估鉴定新型三型分泌系统(T3SS)抑制剂

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

作者信息

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

机构信息

College of Agronomy, Liaocheng University, Liaocheng, China.

Burns and Plastic Surgery Department, The 960th Hospital of the PLA Joint Logistics Support Force, Jinan, China.

出版信息

Front Pharmacol. 2021 Nov 16;12:764191. doi: 10.3389/fphar.2021.764191. eCollection 2021.

Abstract

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 species strains including , , , , and , 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 . The present results suggest that these new T3SS inhibitors could be used as a potential lead molecule for drug development of anti-.

摘要

通过虚拟筛选和生物学评估鉴定出三种III型分泌系统(T3SS)抑制剂(化合物5、19和32)。对这三种化合物针对包括[具体物种名称未给出]、[具体物种名称未给出]、[具体物种名称未给出]、[具体物种名称未给出]和[具体物种名称未给出]在内的一组物种菌株进行了评估,它们的最低抑菌浓度范围为1至53μg/ml。特别是,这些化合物对[具体物种名称未给出]显示出与阳性对照加替沙星相当的活性。目前的结果表明,这些新的T3SS抑制剂可作为抗[具体疾病名称未给出]药物开发的潜在先导分子。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e466/8635108/6efdfd3d9a83/fphar-12-764191-g001.jpg

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