摘要
【目的】通过网络药理学研究方法和分子对接技术预测白芍治疗早发性卵巢功能不全的作用机制。【方法】利用TCMSP数据库收集白芍有效成分及其作用靶标,通过GeneCards与OMIM数据库筛选出早发性卵巢功能不全的靶标,运用Cytoscape软件构建白芍治疗早发性卵巢功能不全的“成分-靶标-通路-疾病”网络。通过STRING数据库构建靶标蛋白相关作用网络并进行关键靶标的生物功能注释及通路分析,应用Autodock软件对药物活性成分与疾病靶点进行分子对接验证。【结果】共筛选白芍13个有效成分,35个靶标85条通路。山柰酚与PTGS1和NR3C2对接结果良好。【结论】白芍可能通过抗炎性反应、增加卵母细胞数量及抑制颗粒细胞凋亡等药理作用来治疗早发性卵巢功能不全。
Objective To predict the mechanism of action of Radix Paeoniae Alba in the treatment of premature ovarian insufficiency(POI)by network pharmacology research method and molecular docking technique.Methods The TCMSP database was used to collect the active ingredients in Radix Paeoniae Alba and their targets,and the GeneCards and OMIM databases were used to screen the targets for POI.Cytoscape software was used to construct the“component-target-pathway-disease”network of Radix Paeoniae Alba for the treatment of POI.The network of target proteins was constructed by STRING database,and the biological function annotation and pathway analysis of key targets were carried out.The active ingredients of the drug were validated by Autodock software for molecular docking with disease targets.Results Thirteen active ingredients of Radix Paeoniae Alba,35 targets and 85 pathways were screened out.Kaempferol had good docking results with PTGS1 and NR3C2.Conclusion Radix Paeoniae Alba may be used to treat POI through pharmacological effects such as anti-inflammatory responses,increasing oocyte numbers and inhibiting granulosa cell apoptosis.
作者
陆岩
黄旭春
曹晓静
王小云
LU Yan;HUANG Xu-Chun;CAO Xiao-Jing;WANG Xiao-Yun(The Second Clinical Medical School of Guangzhou University of Chinese Medicine,Guangzhou 510405 Guangdong,China;Guangdong Provincial Hospital of Chinese Medicine,Guangzhou 510120 Guangdong,China)
出处
《广州中医药大学学报》
CAS
2022年第6期1383-1390,共8页
Journal of Guangzhou University of Traditional Chinese Medicine
基金
国家重点研发计划项目(编号:2018YFC1704102)
国家中医药管理局王小云全国名老中医药专家传承工作室项目(国中医药人教发[2016]42)号
广东省自然科学基金资助项目(编号:2018A030310508)
关键词
白芍
早发性卵巢功能不全
抗炎性反应
卵母细胞
细胞凋亡
网络药理学
分子对接
Radix Paeoniae Alba
premature ovarian insufficiency(POI)
anti-inflammatory responses
oocytes
cell apoptosis
network pharmacology
molecular docking
作者简介
陆岩(1993-),女,博士研究生,E-mail:ly1104421721@163.com;通信作者:王小云,女,教授,博士研究生导师,博士后合作导师,E-mail:tcm1104@126.com
