基于网络药理学及分子对接技术探讨生地黄-天花粉治疗糖尿病作用机制  

Mechanism of Rehmanniae Radix-Trichosanthis Radix in Treating Diabetes Based on Network Pharmacology and Molecular Docking Technology

作　　者：王菲 王桐桐 朱裕 张耀 WANG Fei;WANG Tongtong;ZHU Yu;ZHANG Yao(Shanxi University of Chinese Medicine,Jinzhong Shanxi 030619,China)

机构地区：[1]山西中医药大学,山西晋中030619

出　　处：《新中医》2025年第1期201-208,共8页New Chinese Medicine

基　　金：山西省中医药管理局科研项目(2023ZYYB2034);山西中医药大学博士科研启动基金项目(2023BK27)。

摘　　要：目的:运用网络药理学及分子对接技术研究生地黄-天花粉治疗糖尿病的主要成分和作用机制。方法:通过TCMSP、herb、Swiss Target Prediction数据库获得生地黄-天花粉的主要活性成分和作用靶点。通过GeneCard、OMIM等数据库筛选糖尿病的主要靶点,利用Venn图获得二者的交集靶点,绘制PPI网络,构建药物-活性成分-靶点网络,进一步获得生地黄-天花粉治疗糖尿病的核心靶点和成分,通过David数据库进行基因本体(GO)和京都基因组百科全书(KEGG)通路富集分析,并运用AutoDock-Vina对关键靶点与相应活性成分进行分子对接验证。结果:从生地黄-天花粉药对中筛选出15个不重复的有效成分和464个作用靶点,并与1455个糖尿病相关靶点相交,得到157个交集靶点。生地黄-天花粉治疗糖尿病的核心有效成分有:高良姜萜醛A(Galanal A)、菠菜甾醇(Spinasterol)、4-乙酰氧基-6-羟基-3-(1-羟基-1-甲基乙基)-6,10,12a-三甲基-1,2,3,3a,4,5,6,9,10,12a-十氢环戊烷并环十一烷[6-Hydroxy-3-(1-hydroxy-1-methylethyl)-6,10,12atrimethyl-1,2,3,3a,4,5,6,9,10,12a-decahydrocyclopenta[a]cycloundecen-4-yl acetate]、甾醇(Schottenol)等,关键靶点是IL1B、PPARG、DPP4、PTGS2、EGFR等。信号通路分析得出生地黄-天花粉可通过Pathways in cancer(癌症通路)、Insulin resistance(胰岛素抵抗)、PPAR signaling pathway(PPAR信号通路)等多种信号通路干预糖尿病。分子对接结果显示,筛选的主要活性成分及靶点蛋白具有较好的结合活性。结论:生地黄-天花粉药对可以通过多种成分、多种靶点和多种途径对糖尿病起到治疗效果。Objective:To study the main components and mechanism of Rehmanniae Radix-Trichosanthis Radix in treating diabetes by using network pharmacology and molecular docking technology.Methods:The main active components and targets of Rehmanniae Radix-Trichosanthis Radix were obtained by TCMSP,herb and Swiss Target Prediction databases.The main targets of diabetes were screened through GeneCard,OMIM and other databases;the intersection targets of the two were obtained by Venn diagram;the PPI network was drawn;the drug-active componenttarget network was constructed,and the core targets and components of Rehmanniae Radix-Trichosanthis Radix in the treatment of diabetes were further obtained.Gene Ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis were carried out through the David database,and the molecular docking between core targets and corresponding active components was verified by AutoDock-Vina.Results:A total of 15 nonrepetitive active components and 464 action targets were selected from Rehmanniae Radix-Trichosanthis Radix,and they were intersected with 1455 diabetes related targets,and eventually 157 intersection targets were obtained.The core active components of Rehmanniae Radix-Trichosanthis Radix in treating diabetes were Galanal A,Spinasterol,6-Hydroxy-3-(1-hydroxy-1-methylethyl)-6,10,12a-trimethyl-1,2,3,3 a,4,5,6,9,10,12a-decahydrocyclopenta[a]cycloundecen-4-yl acetate and sterol(Schottenol),and the core targets were IL1B,PPARG,DPP4,PTGS2 and EGFR.The signaling pathway analysis showed that Rehmanniae Radix-Trichosanthis Radix could intervene in diabetes through a variety of signaling pathways,including Pathways in Cancer,Insulin Resistance,and PPAR signaling pathway.The results of molecular docking showed that the main active components and the target proteins had good binding activity.Conclusion:Rehmanniae Radix-Trichosanthis Radix can play an effective role in the treatment of diabetes through multiple components,multiple targets and multiple ways.

关 键 词：网络药理学 糖尿病 生地黄 天花粉 PPAR信号通路 分子对接 

分 类 号：R285[医药卫生—中药学]