四川中医2025，Vol.43Issue(5)：93-102,10.DOI:10.3969/j.issn.1000-3649.sczy2501210005
基于网络药理学方法和分子对接技术探讨中药治疗肌少症的用药规律及作用机制
Exploring the medication patterns and mechanisms of traditional Chinese medicine in the treatment of sarcopenia based on network pharmacology approach and molecular docking technology
摘要
Abstract
Objective To analyze and summarize the rules and characteristics of Traditional Chinese Medicine(TCM)in the treatment of sarcopenia through data mining,and to explore the potential targets and mechanisms of high-frequency TCM combinations for treating sarcopenia using network pharmacology and molecular docking technology,providing ideas for clinical medication and new drug development.Methods Literature on TCM treatment of sarcopenia was searched in databases including China National Knowledge Infrastructure(CNKI),VIP Database for Chinese Technical Periodicals,Wanfang Database,and SinoMed.The high-frequency TCM combinations for treating sarcopenia were analyzed using the TCM Inheritance Support Platform.Related targets of TCM and sarcopenia were obtained from the TCMSP database and OMIM,and protein-protein interaction(PPI)analysis,Gene Ontology(GO)enrichment analysis,and KEGG pathway enrichment analysis were performed on the key targets.Finally,molecular docking verification was conducted using AutoDock software.Results The study included 162 articles,165 prescriptions,and 188 different TCM ingredients.Data mining revealed 17 herbs used more than 20 times,with the top 10 were Baizhu(Atractylodis Macrocephalae),Huangqi(Astragalus Membranaceus),Danggui(Angelica Sinensis),Gancao(Glycyrrhiza Glutinosa),Fulin(Poria),Dangshen(Radix et Rhizoma Codonopsis),Shudihuang(Rhizoma Rehmanniae Praeparata),Chenpi(Tangerine Peel),Renshen(Radix et Rhizoma Ginseng),and Shanyao(Rhizoma Dioscorea).The most frequent channel tropism of traditional Chinese herbs was Spleen Meridian(891 times),and the Liver Meridian(648 times)for the second.The proportion of the four qi and five flavors was highest for sweet(1025 mentions)and warm(758 mentions)herbs.The intersection targets of the Fulin-Dangshen-Baizhu combination and sarcopenia consisted of 186 targets.18 core herb combinations were obtained through association rule analysis,with the most frequent combination being Fulin-Dangshen-Baizhu.In the"TCM-disease-effective components-target"network map,the core effective components included Atractylenolide I,II,III,Tangshenoside I,Lobetyolin,and Pachymic acid.PPI network analysis identified the core targets as AKT1,INS,IL6,and TNF.GO enrichment analysis suggested that the Fulin-Dangshen-Baizhu combination might treat sarcopenia through pathways related to the response to extracellular stimuli,response to peptides,and response to nutritional levels.KEGG pathway enrichment analysis indicated that the therapeutic efficacy of the Fulin-Dangshen-Baizhu combination may be associated with the PI3K-Akt,JAK-STAT,and HIF-1 signaling pathways.Molecular docking results showed that the top three binding energies were as follows:pachymic acid and TNF(-9.15kcal/mol),Tangshenoside I and AKT1(-9.13kcal/mol),and Tangshenoside I and TNF(-9.05kcal/mol).Conclusion TCM treatment of sarcopenia focuses on the spleen and liver,primarily tonifying the spleen and benefiting Qi,while also promoting blood circulation and removing stasis.The high-frequency herb combination(Fulin-Dangshen-Baizhu)may exert its therapeutic effects through effective components such as Atractylodes lactone 1,2,3,Poria acid,Codonopsis quinone,and Codonopsis saponin 1.These components may regulate multiple signaling pathways,including the PI3K-Akt,JAK-STAT,and HIF-1 pathways,affecting related targets such as AKT1,INS,IL6,and TNF to treat sarcopenia.关键词
肌少症/痿证/用药规律/网络药理学/分子对接技术Key words
Sarcopenia/Flaccidity syndrome/Medication patterns/Network pharmacology/Molecular docking techniques分类
医药卫生引用本文复制引用
王楠,李程,邱凤喜,薛艳,刘树森,刘永铭,黄韦杰,张胜男,石瑛..基于网络药理学方法和分子对接技术探讨中药治疗肌少症的用药规律及作用机制[J].四川中医,2025,43(5):93-102,10.基金项目
国家自然科学基金委员会青年项目(82305269) （82305269）
2022-2023年上海市卫生健康委员会中医药科研项目(2022QN029) （2022QN029）
上海市养志康复医院(上海市阳光康复中心)阳光临床研究培育项目(2024CRTS043) （上海市阳光康复中心）
上海市残疾人联合会康复政策项目(2024ZC1007). （2024ZC1007）
