数字中医药（英文）2023，Vol.6Issue(3)：257-271,15.DOI:10.1016/j.dcmed.2023.10.002
基于生物信息学技术的中药治疗代谢相关脂肪性肝病的用药规律及其机制研究
Medication rule and mechanism of traditional Chinese medicine in treating metabolism-associated fatty liver disease based on bioinformatics technology
摘要
Abstract
Objective To analyze the main syndrome types,medication rules,and core prescription characteristics of traditional Chinese medicine(TCM)in the treatment of metabolism-associ-ated fatty liver disease(MAFLD),and to predict the anti-MAFLD mechanism of core formula,so as to provide references for the clinical application of TCM and the development of new drugs. Methods Literature research on TCM in treating MAFLD was retrieved from China National Knowledge Infrastructure(CNKI),China Science and Technology Journal Database(VIP),and Wanfang Database since the establishment of the database to July 2022.Excel 2019 and Chinese Medicine Inheritance Computing Platform(V3.0)were used for frequency analysis,association rule analysis,and cluster analysis of effective prescriptions.The key components,targets,and action pathways of anti-MAFLD core formulas were predicted by network phar-macology.Finally,the interactions between the obtained core components and their core tar-gets were verified reversely by molecular docking technology. Results A total of 218 articles were screened and selected,including 352 prescriptions,in-volving 270 traditional Chinese herbs.The drugs were used a total of 3 901 times,and a total of 10 915 cases were collected,among which the prevalence rate was higher in males.The main types of TCM syndrome included intermingled phlegm and blood stasis syndrome,liv-er depression and spleen deficiency syndrome,and damp-heat in liver and gallbladder syn-drome,among which Shanzha(Crataegi Fructus),Danshen(Salviae Miltiorrhizae Radix et Rhizoma),Fuling(Poria),Zexie(Alismatis Rhizoma),Chaihu(Bupleuri Radix),and Baizhu(Atractylodis Macrocephalae Rhizoma)were the most frequently used.The properties of Chi-nese medicine primarily encompassed thermal characteristics,with a predominant emphasis on cold and warm;the flavors of herbs were predominantly characterized by bitterness and sweetness,while the majority exhibited tropism towards the spleen and liver meridians.The drugs were primarily classified based on their efficacy in tonifying deficiencies,promoting diuresis and moistening,enhancing blood circulation and removing blood stasis,heat-clearing,etc.The association rules were employed to derive a set of 20 core drug pairs,while cluster analysis was utilized to identify three distinct groups of core drug combinations.Network pharmacological showed that the main components of the core formula"Shanzha(Crataegi Fructus)-Danshen(Salviae Miltiorrhizae Radix et Rhizoma)-Zexie(Alismatis Rhi-zoma)-Chaihu(Bupleuri Radix)-Fuling(Poria)"in the treatment of MAFLD were quercetin,apigenin,puerarin,luteolin,ursolic acid,kaempferol,tanshinone IIA,emodin,paeonol,etc.,which involved RAC-alpha serine/threonine-protein kinase 1(AKT1),cellular tumor antigen p53(TP53),interleukin(IL)-6,IL-1β,signal transducer and activator of transcription 3(STAT3),epidermal growth factor receptor(EGFR),peroxisome proliferative activated recep-tor gamma(PPARG),and other key targets.The molecular docking results showed that the core components had good binding to lipid and atherosclerosis,and phosphatidylinositol 3 kinase(PI3K)/AKT signaling pathway-associated proteins. Conclusion The main principles of TCM for the treatment of MAFLD involve soothing the liv-er and strengthening the spleen,eliminating phlegm and dampness,clearing heat and damp-ness,as well as promoting blood circulation and removing blood stasis.The core formula may exert anti-MAFLD effects mediated through multiple components,targets,and signaling pathways.This study establishes a theoretical foundation for the clinical application of TCM in the treatment of MAFLD,and serves as a reference for further exploration of new drugs against MAFLD.关键词
代谢相关脂肪性肝病/生物信息学技术/用药规律/核心组方/作用机理Key words
Metabolism-associated fatty liver/disease(MAFLD)/Bioinformatics technology/Medication rule/Core formula/Mechanism引用本文复制引用
张云坤,姚蓉,李林,李文莉,李长青,潘宇,李顺祥..基于生物信息学技术的中药治疗代谢相关脂肪性肝病的用药规律及其机制研究[J].数字中医药（英文）,2023,6(3):257-271,15.基金项目
Natural Science Foundation of Hunan Province(2021JJ80055),Natural Science Foundation of Guangxi Province(2020JJA140044),and Funding Project for the Employment and Entrepreneurship of Overseas Students in Hunan Province[2022]. （2021JJ80055）
