摘要
利用网络药理学、分子对接及抑菌实验探究黎药胆木有效成分抑制白色念珠菌的关键作用靶点和潜在作用机制。通过CNKI、Pubmed、SwissTarget获得胆木有效成分作用靶点,同时在Disgenet疾病数据库获取白色念珠菌靶点,取交集后导入String数据库获得核心靶点,对其进行富集分析、分子对接及实验验证。结果显示:筛选得到9种有效成分,258个对应靶点,832个疾病靶点,取交集得43个共同靶点,主要为IL6、ALB、STAT3、PPARG、EGFR等靶点;经富集分析可知,胆木抑制白色念珠菌感染的通路主要涉及抗原刺激对炎症反应的调控、炎症反应中细胞因子产生的正向调节、炎症反应等通路;分子对接发现,胆木活性成分与核心蛋白之间能自发结合;抑菌结果发现,胆木提取物在250μg/mL时达到MIC50。本研究通过网络药理学、分子对接及抑菌实验研究胆木治疗白色念珠菌感染的作用成分及机制,发现胆木可通过多靶点、多成分、多通路发挥治疗作用。
This study employs network pharmacology,molecular docking,and antibacterial experiments to explore the key action targets and potential mechanisms by which the active components of the Li ethnic medicine N.officinalis inhibit Can-dida albicans.Targets of the active components of N.officinalis were obtained from the CNKI,PubMed,and SwissTarget databases,while C.albicans-related targets were retrieved from the DisGeNET database.The intersection of these targets was input into the STRING database to obtain core targets,which were then subjected to enrichment analysis,molecular docking,and experimental validation.The results showed that nine active components,258 corresponding targets,and 832 disease tar-gets were screened out,with 43 common targets obtained from the intersection,mainly including IL6,ALB,STAT3,PPARG,EGFR,etc.Enrichment analysis indicated that the pathways through which N.officinalis inhibits C.albicans infection mainly involve the regulation of inflammatory responses by antigen stimulation,the positive regulation of cytokine production in inflammatory responses,and inflammatory response pathways.Molecular docking revealed that the active components of N.officinalis can bind spontaneously to core proteins.Antibacterial experiment results showed that the N.officinalis extract reached MIC at 250μg·mL-1.This study explored the active components and mechanisms of N.officinalis in treating C.albicans infection via network pharmacology,molecular docking,and antibacterial experiments and found that N.officinalis exerts therapeutic effects through multitarget,multicomponent,and multipathway actions.
作者
吴小萍
张瀚铭
郑菀橘
曾琳
何丽敏
杨卫丽
WU Xiaoping;ZHANG Hanming;ZHENG Wanju;ZENG Lin;HE Limin;YANG Weili(College of Pharmacy,Hainan Medical University,Haikou,Hainan 571199,China;Hainan Branch of the Institute of Medicinal Plant Development,Chinese Academy of Medical Sciences&Peking Union Medical College/Hainan Provincial Key Laboratory of Resources Conservation and Development of Southern Medicine,Haikou,Hainan 570311,China)
出处
《热带农业科学》
2026年第1期115-122,共8页
Chinese Journal of Tropical Agriculture
基金
海南省自然科学基金高层次人才项目“黎药胆木内生真菌微生态结构与其质量相关性研究”(No.820RC624)
大学生创新创业项目(No.S202311810007)。
关键词
胆木
网络药理学
白色念珠菌
抑菌实验
分子对接
Nauclea officinalis
network pharmacology
Candida albicans
antibacterial experiment
molecular docking
