北京中医药2025，Vol.44Issue(10)：1285-1291,7.DOI:10.16025/j.1674-1307.2025.10.011
勒马回抑制耐甲氧西林金黄色葡萄球菌耐药生物膜的作用及机制探究
Effects and mechanisms of Veronica linariifolia in inhibiting MRSA drug-resistant biofilms
摘要
Abstract
Objective To investigate the inhibitory effects and underlying mechanisms of the Chinese medicinal material Veronica linariifolia(Lemahui,LMH)on methicillin-resistant Staphylococcus aureus(MRSA)drug-resistant biofilms.Methods MRSA was cultured to form mature drug-resistant biofilms,which were then treated with LMH injection.The ultrastructure of the biofilms was observed using scanning electron microscopy(SEM).Based on literature review and database retrieval,the main active components of LMH and genes associated with biofilm drug resistance were identified.The 3D structures of the active compounds and the corresponding biofilm drug-resistance targets were obtained from the SwissTargetPrediction and UniProt databases.Cytoscape software was used to construct the component-target interaction network of LMH.A protein-protein interaction(PPI)network was established using the STRING database.Molecular docking between key active compounds and core targets was performed using AutoDock Vina,followed by 100 ns molecular dynamics(MD)simulations with Gromacs 2022 to screen effective components and genes.Finally,reverse transcription quantitative polymerase chain reaction(RT-qPCR)was used to validate the effects of LMH and its major active components on the expression of core genes related to biofilm formation and drug resistance.Results LMH inhibited MRSA biofilm formation.Its main constituents,protocatechuic acid(PCA)and salicylic acid(SA),bound tightly to the core targets of MRSA drug-resistant biofilms SarA,SarX,Rot,and SigB,with binding energies below-4.5 kcal/mol.Molecular dynamics simulations indicated overall structural stability of these complexes.RT-qPCR showed that LMH significantly downregulated the expression of these core regulatory genes.Conclusion LMH inhibits the formation of MRSA drug-resistant biofilms.Its mechanisms may involve multi-target synergistic modulation by PCA and SA,which interfere with biofilm-associated regulatory networks and downregulate the expression of key regulatory genes.关键词
勒马回/耐甲氧西林金黄色葡萄球菌/耐药生物膜/网络药理学/分子动力学Key words
Veronica linariifolia/methicillin-resistant Staphylococcus aureus/drug-resistant biofilm/network pharmacology/molecular dynamics引用本文复制引用
安洪萨,戎新倩,杨伟峰,张璐璐,郑昊然,陈艺幻,姜春燕,吕诚,谭勇..勒马回抑制耐甲氧西林金黄色葡萄球菌耐药生物膜的作用及机制探究[J].北京中医药,2025,44(10):1285-1291,7.基金项目
中国中医科学院科技创新工程中医临床基础学科创新团队项目(C2021B003) （C2021B003）
中国中医科学院自主选题项目(Z0735) （Z0735）
