摘要
目的:采用数据挖掘及网络药理学方法,探讨罗国钧教授治疗慢性乙型肝炎(chronic hepatitis B,CHB)的用药规律及其生物学机制。方法:收集2020年1月—2022年1月罗国钧门诊治疗慢性乙型肝炎患者的中药处方,利用中医传承云计算平台(V3.0)、SPSS Modeler 18.0及SPSS Statistics 27.0软件进行用药频次、关联规则、聚类分析,总结用药规律及核心药对,利用网络药理学及分子对接方法分析并验证核心药对的作用机制。结果:共纳入102个药方,柴胡-白花蛇舌草是罗国钧教授治疗慢性乙型肝炎的核心药对,主要活性成分为槲皮素、豆甾醇、山奈酚、异鼠李素、β-谷甾醇等;核心药对活性成分与CHB有62个交集靶点,白介素-6(IL-6)、肿瘤坏死因子(TNF)、血管内皮生长因子A(VEGFA)、抑癌基因53(TP53)、白介素-1β(IL-1β)、雌激素受体1(ESR1)等为柴胡-白花蛇舌草治疗CHB的重要靶点;柴胡-白花蛇舌草治疗CHB是通过对激素的反应、细胞迁移的正向调控、氧化还原酶活性调控等生物过程实现的,药对主要作用于IL-17信号通路、缺氧诱导因子信号通路、松弛素信号通路、乙肝通路、癌症通路等;分子对接显示核心药对主要活性成分槲皮素、豆甾醇、β-谷甾醇与关键靶点TP53,山奈酚与ESR1可形成稳定结构。结论:罗国钧教授从肝、脾、肾治疗慢性乙型肝炎,以清热利湿解毒、疏肝解郁、健脾益肾、活血化瘀为法,核心药对柴胡-白花蛇舌草治疗CHB的作用机制存在多成分、多靶点、多通路的特点。
Objective:To explore the medication rules and biological mechanism of chronic hepatitis B(CHB)treated by Professor Luo Guojun by using data mining and network pharmacology.Methods:The traditional Chinese medicine prescriptions of CHB patients treated by Luo Guojun′s outpatient department from January 2020 to January 2022 were collected,and the frequency of medication,association rules and cluster analysis were carried out using TCM inheritance cloud computing platform(V3.0),SPSS Modeler 18.0 and SPSS Statistics 27.0 software.The medication rules and core drug pairs were summarized,and the mechanism of action of core drug pairs was analyzed and verified by network pharmacology and molecular docking methods.Results:A total of 102 prescriptions were included,and Chaihu-Baihuasheshecao was the core drug pair for Prof.Luo Guojun in treating CHB.The main active ingredients were quercetin,stigmosterol,kaempferol,isorhamnetin,β-sitosterol and so on.The core drug pair had 62 intersection targets for the active ingredients and CHB,and interleukin-6(IL-6),tumor necrosis factor(TNF),vascular endothelial growth factor A(VEGFA),tumor protein 53(TP53),interleukin-1β(IL-1β)and estrogen receptor 1(ESR1)were important targets for the treatment of CHB by Chaihu-Baihuasheshecao.The treatment of CHB by Chaihu-Baihuasheshecao was realized through biological processes such as hormone response,positive regulation of cell migration and regulation of oxidoreductase activity.The drug pair mainly acted on IL-17 signaling pathway,hypoxia-inducing factor signaling pathway,relaxin signaling pathway,hepatitis B pathway and cancer pathway.Molecular docking showed that quercetin,stigmasterol andβ-sitosterol could form stable structures with TP53,and kaempferol and ESR1 could form stable structures.Conclusion:Prof.Luo Guojun treats CHB from the aspects of the liver,the spleen and the kidney,and takes the methods of clearing heat,removing dampness and detoxifying,soothing liver and relieving stagnation,strengthening spleen and kidney,activati
作者
刘容辰
魏文一
李琳荣
Liu Rongchen;Wei Wenyi;Li Linrong(College of Basic Medicine,Shanxi University of Chinese Medicine,Jinzhong Shanxi 030619)
出处
《山西中医药大学学报》
2023年第3期299-306,共8页
Journal of Shanxi University of Chinese Medicine
基金
罗国钧省级名中医传承工作室项目(SXSMZYGZS029)
山西中医药大学研究生创新创业项目(2021CX005)。
