Ruohong JIANG , Xiangyue WEN , Yaming ZHANG , Xuehua LU , Xiaomei XU , Lisha LI , Rongqing XU , Wenjin LIN
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Cytoscape was employed to obtain the core targets of the prescription for the treatment of hyperlipidemia, and then the KEGG pathway of the intersection targets was enriched and analyzed using the DAVID database. Molecular docking of core chemical components and key targets and visualization of the docking results were performed using AutoDock and the Discovery Studio 2016 Client platform, respectively. Finally, it was verified by <em>in vitro</em> cell experiments.</p></div><div><h3>Results</h3><p>The drug pair with the highest support was hawthorn–<em>Salvia miltiorrhiza–</em>Alismatis Rhizoma. This pair contained 112 active components, 384 targets highly correlated with the active components, 111 targets related to hyperlipidemia, and 45 intersection targets of drugs and diseases. Biological function and target pathway enrichment analysis revealed that the biological process of hawthorn–<em>Salvia miltiorrhiza–</em>Alismatis Rhizoma in the treatment of hyperlipidemia was mainly related to steroid metabolism, drug reaction, and redox process. The results of <em>in vitro</em> experiments indicated that Alisol A could reduce cell lipid accumulation and total cholesterol (TC) and TG levels, upregulate of ABCB1 and downregulate of CYP1A2, CYP3A4, and SLC6A4 mRNA expression.</p></div><div><h3>Conclusion</h3><p>Network pharmacology analysis revealed that the hawthorn–<em>Salvia miltiorrhiza–</em>Alismatis Rhizoma herb pair can treat hyperlipidemia through multiple targets and pathways, which provide a basis for further study of traditional Chinese medicine in the treatment of hyperlipidemia.</p></div>","PeriodicalId":100787,"journal":{"name":"Journal of Holistic Integrative Pharmacy","volume":"3 4","pages":"Pages 362-379"},"PeriodicalIF":0.0000,"publicationDate":"2022-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2707368823000055/pdfft?md5=1021b6658e028471cfef8bb3d1f7fbd6&pid=1-s2.0-S2707368823000055-main.pdf","citationCount":"0","resultStr":"{\"title\":\"Molecular mechanism and rule of TCM prescriptions containing Alismatis Rhizoma in the clinical treatment of hyperlipidemia based on data mining and network pharmacology\",\"authors\":\"Ruohong JIANG , Xiangyue WEN , Yaming ZHANG , Xuehua LU , Xiaomei XU , Lisha LI , Rongqing XU , Wenjin LIN\",\"doi\":\"10.1016/S2707-3688(23)00005-5\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><h3>Objective</h3><p>The clinical treatment rules and mechanism of Alismatis Rhizoma prescription for hyperlipidemia treatment were analyzed based on data mining and network pharmacology.</p></div><div><h3>Methods</h3><p>The CNKI, Wanfang, and PubMed databases were searched to collect the prescriptions containing Alismatis Rhizoma for the treatment of hyperlipidemia, and the Apriori algorithm was employed to mine the hidden drug compatibility rules and drug pairs in each prescription. The chemical components and target information of drug pairs were analyzed using the TTCMSP, PubChem, and SwissTargetPrediction databases, and the disease targets were screened using the DrugBank database. The intersection of the two was also obtained. Cytoscape was employed to obtain the core targets of the prescription for the treatment of hyperlipidemia, and then the KEGG pathway of the intersection targets was enriched and analyzed using the DAVID database. Molecular docking of core chemical components and key targets and visualization of the docking results were performed using AutoDock and the Discovery Studio 2016 Client platform, respectively. Finally, it was verified by <em>in vitro</em> cell experiments.</p></div><div><h3>Results</h3><p>The drug pair with the highest support was hawthorn–<em>Salvia miltiorrhiza–</em>Alismatis Rhizoma. This pair contained 112 active components, 384 targets highly correlated with the active components, 111 targets related to hyperlipidemia, and 45 intersection targets of drugs and diseases. Biological function and target pathway enrichment analysis revealed that the biological process of hawthorn–<em>Salvia miltiorrhiza–</em>Alismatis Rhizoma in the treatment of hyperlipidemia was mainly related to steroid metabolism, drug reaction, and redox process. 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引用次数: 0
摘要
目的基于数据挖掘和网络药理学分析泽泻方治疗高脂血症的临床治疗规律和作用机制。方法检索中国知网(CNKI)、万方数据库和PubMed数据库,收集含泽泻治疗高脂血症的处方,采用Apriori算法挖掘处方中隐藏的药物配伍规律和药物对。使用TTCMSP、PubChem和SwissTargetPrediction数据库分析药物对的化学成分和靶点信息,使用DrugBank数据库筛选疾病靶点。得到了两者的交点。利用Cytoscape获得治疗高脂血症处方的核心靶点,然后利用DAVID数据库对交叉靶点的KEGG通路进行富集和分析。分别使用AutoDock和Discovery Studio 2016 Client平台对核心化学成分和关键靶点进行分子对接,并对对接结果进行可视化。最后,通过体外细胞实验对其进行验证。结果支持度最高的药物对为山楂-丹参-泽泻。该对含有112个有效成分,384个与有效成分高度相关的靶点,111个与高脂血症相关的靶点,45个与药物和疾病交叉的靶点。生物学功能和靶通路富集分析表明,山楂-丹参-泽泻治疗高脂血症的生物学过程主要与类固醇代谢、药物反应和氧化还原过程有关。体外实验结果表明,Alisol A可降低细胞脂质积累、总胆固醇(TC)和TG水平,上调ABCB1,下调CYP1A2、CYP3A4和SLC6A4 mRNA表达。结论网络药理学分析显示,山楂-丹参-泽泻这对药材可通过多靶点、多途径治疗高脂血症,为进一步研究中药治疗高脂血症提供了基础。
Molecular mechanism and rule of TCM prescriptions containing Alismatis Rhizoma in the clinical treatment of hyperlipidemia based on data mining and network pharmacology
Objective
The clinical treatment rules and mechanism of Alismatis Rhizoma prescription for hyperlipidemia treatment were analyzed based on data mining and network pharmacology.
Methods
The CNKI, Wanfang, and PubMed databases were searched to collect the prescriptions containing Alismatis Rhizoma for the treatment of hyperlipidemia, and the Apriori algorithm was employed to mine the hidden drug compatibility rules and drug pairs in each prescription. The chemical components and target information of drug pairs were analyzed using the TTCMSP, PubChem, and SwissTargetPrediction databases, and the disease targets were screened using the DrugBank database. The intersection of the two was also obtained. Cytoscape was employed to obtain the core targets of the prescription for the treatment of hyperlipidemia, and then the KEGG pathway of the intersection targets was enriched and analyzed using the DAVID database. Molecular docking of core chemical components and key targets and visualization of the docking results were performed using AutoDock and the Discovery Studio 2016 Client platform, respectively. Finally, it was verified by in vitro cell experiments.
Results
The drug pair with the highest support was hawthorn–Salvia miltiorrhiza–Alismatis Rhizoma. This pair contained 112 active components, 384 targets highly correlated with the active components, 111 targets related to hyperlipidemia, and 45 intersection targets of drugs and diseases. Biological function and target pathway enrichment analysis revealed that the biological process of hawthorn–Salvia miltiorrhiza–Alismatis Rhizoma in the treatment of hyperlipidemia was mainly related to steroid metabolism, drug reaction, and redox process. The results of in vitro experiments indicated that Alisol A could reduce cell lipid accumulation and total cholesterol (TC) and TG levels, upregulate of ABCB1 and downregulate of CYP1A2, CYP3A4, and SLC6A4 mRNA expression.
Conclusion
Network pharmacology analysis revealed that the hawthorn–Salvia miltiorrhiza–Alismatis Rhizoma herb pair can treat hyperlipidemia through multiple targets and pathways, which provide a basis for further study of traditional Chinese medicine in the treatment of hyperlipidemia.