摘要
目的基于网络药理学探讨黄柏-知母药对的药效物质基础和作用机制。方法从中药系统药理学数据库与分析平台(TCMSP)及化学专业数据库中寻找与这两味中药相关的所有化学成分。选择药物口服生物利用度(OB值)≥30%,类药性(DL值)≥0.18作为黄柏-知母中化合物分子的筛选条件。通过TCMSP平台寻找与候选化合物相关的潜在靶点,构建药物靶点相互作用的网络图和靶点疾病相互作用网络图。结果通过筛选,得出51个候选活性分子,相应靶点141个,相关疾病517种。度值前3的候选化合物分子分别是槲皮素(85)、四氢非洲防己碱(53)、山柰酚(53);度值前3的靶点蛋白为雄激素受体(AR,39),雌激素受体Ⅰ(ESR1,35),凝血因子Ⅱ(F2,27);度值较高的相关疾病依次是精神分裂症、糖尿病、阿尔茨海默症、非特异性癌症、哮喘、前列腺肿瘤、乳腺肿瘤、肥胖、心血管疾病等。结论分析结果初步验证了黄柏-知母药对的基本药理学作用和相关机制,为深入探讨其作用机制奠定了良好基础。
Objective To determine the material basis and mechanism of action of Phellodendri Chinensis Cortex and Anemarrhenae Rhizoma.Methods All the chemical components related to the two traditional Chinese herbs from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP)and Chemical professional database were searched.The oral bioavailability(OB)≥30%and drug likeness(DL)≥0.18 were used as the screening conditions for molecular compounds.The potential targets related to candidate compounds were found through the TCMSP,and then the drug-target interaction network as well as target-disease interaction network were constructed.Results Totally 51 active candidate molecules,141 corresponding targets and 517 related diseases were obtained through screening according to OB and DL conditions.The top 3 compounds were quercetin(85),kaempferol(53),and isocorypalmine(53).The top 3 target proteins were androgen receptor(AR,39),estrogen receptorⅠ(ESR1,35),and coagulation factorⅡ(F2,27).Related diseases of higher degree values were schizophrenia,diabetes mellitus,Alzheimer’s disease,non-specific cancer,asthma,prostatic neoplasms,mammary neoplasms,obesity,cardiovascular diseases,inflammation and so on.Conclusion The study preliminarily verifies the basic pharmacological effects and related mechanism of Phellodendri Chinensis Cortex and Anemarrhenae Rhizoma,and lays a good foundation for further study on the mechanism of action.
作者
刘顺
邹恺平
董辰
李存玉
彭国平
孙蕾
LIU Shun;ZOU Kai-ping;DONG Chen;LI Cun-yu;PENG Guo-ping;SUN Lei(Affiliated Hospital of Nanjing University of Chinese Medicine,Nanjing 210029;Nanjing University of Chinese Medicine,Nanjing 210023;Tianjin University of Sport,Tianjin 301617;Jiangsu Collaborative Innovation Center of Chinese Medicinal Resources Industrialization,Nanjing 210023)
出处
《中南药学》
CAS
2020年第1期147-153,共7页
Central South Pharmacy
基金
国家自然科学基金项目(No.81603310,No.81503258,No.81373980)
江苏省研究生科研创新计划(No.KYCX18_1642)
江苏省中医院院级课题项目(No.Y17039,No.Y19056)
关键词
网络药理学
黄柏
知母
药效物质基础
作用机制
network pharmacology
Phellodendri Chinensis Cortex
Anemarrhenae Rhizoma
material basis
mechanism
