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基于结构的标识,Salvianolic酸B作为一种向沙门氏菌InvC ATPase的抑制剂

Jiayang Liu¹, Xinyou Zhang¹, Kaiyao Zhang¹

¹State Key Laboratory for Diagnosis and Treatment of Severe Zoonotic Infectious Diseases, Key Laboratory for Zoonosis Research of the Ministry of Education, College of Veterinary Medicine, Jilin University, Changchun, China.

The Journal of biological chemistry

|September 17, 2025

概括

萨尔维阿诺酸B (SA-B) 抑制了沙门氏菌InvC,这是一个关键的毒性因素. 这种化合物减少了细菌的入侵和感染的严重程度,提供了针对多药耐药沙门氏菌的新型抗病毒性策略.

科学领域:

微生物学微生物学
药理学药理学是指药理学的学科.
结构生物学结构生物学

背景情况:

耐多药沙门氏菌 (MDR) 是全球卫生面临的一个重大挑战.
第三类分泌系统1 (T3SS-1) 及其ATPase InvC对沙门氏菌毒性至关重要,并代表潜在的治疗点.

研究的目的:

为了识别和描述沙门氏菌InvC ATPase活性的抑制剂.
评估萨尔维亚诺酸B (SA-B) 对沙门氏菌的抗病毒性潜力.

主要方法:

基于结构的虚拟查,以识别潜在的InvC抑制剂.
分子动力学模拟来分析抑制剂-标相互作用.
在体外测试以评估ATPase抑制,T3SS-1效应因子分泌和宿主细胞入侵.
在体内感染模型 (Galleria mellonella和小鼠) 来评估治疗疗效.

主要成果:

萨尔维阿诺酸B (SA-B) 被确定为InvC ATPase的抑制剂.
分子动力学模拟显示了SA-B在ATP结合口袋中的稳定结合模式.
在实验室中,SA-B抑制了InvC ATPase活性,T3SS-1效应体分泌和S. Typhimurium对宿主细胞的入侵.
治疗SA-B显著改善了生存率,并在体内减少了细菌负载.

结论:

SA-B是一种沙门氏菌InvC的强有力的抑制剂,作为一种抗病毒性化合物.
SA-B提供了一种有前途的治疗策略,通过向毒性而不是生存能力来对抗MDR沙门氏菌.
这种方法可以通过解除病原体的武装来帮助减轻抗生素耐药性.

关键词:

它们是ATP酶.沙门氏菌是一种沙门氏菌.分子对接的分子对接.自然产品是一种自然产品.第三类分泌系统 (T3SS)毒性因子是毒性因子.

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