Changzhi People's Hospital, Changzhi, Shanxi, China.
Heilongjiang University of Chinese Medicine, Harbin, Heilongjiang, China.
Medicine (Baltimore). 2023 Feb 22;102(8):e32946. doi: 10.1097/MD.0000000000032946.
To use network pharmacology and bioinformatics technology to reveal the mechanism of persicae semen-carthami flos drug pair in the treatment of renal fibrosis (RF). Compounds in traditional Chinese medicine were obtained through the Herb database. Appropriate compounds and corresponding drug targets were screened out based on the 5 rules of Lipinski and pharmacokinetics. Screening of suitable disease miRNAs by microarray chips in the GEO database. Find differentially expressed genes by analyzing miRNAs. Protein-protein interaction analysis and enrichment analysis of therapeutic targets were performed using String database and Omicshare platform. Molecular docking via the DockThor platform. A total of 28 drug compounds and 228 drug targets were screened in this study. A total of 9 miRNAs and 6649 disease targets were obtained by GEO2R software analysis. Finally, 97 therapeutic targets were obtained. A total of 1124 Gene Ontology enrichment analysis results were obtained. Therapeutic targets play multiple roles in biological processes, molecular functions, and cellular organization. Kyoto Encyclopedia of Genes and Genomes pathway enrichment analysis showed that the persicae semen-carthami flos drug pair played a role in the treatment of RF mainly through calcium signaling pathway, pathways in cancer, cAMP signaling pathway, and other pathways. Molecular docking showed that the traditional Chinese medicine compounds had good binding ability to the target. Persicae semen and carthami flos play a role in the treatment of RF through multiple targets and multiple pathways. It provides ideas and references for follow-up research and new drug development.
采用网络药理学和生物信息学技术，揭示了虻虫-红花药对治疗肾纤维化（RF）的作用机制。通过 Herb 数据库获取中药中的化合物，根据 Lipinski 五原则和药代动力学筛选出合适的化合物和相应的药物靶点。通过 GEO 数据库中的微阵列芯片筛选合适的疾病 miRNAs。通过分析 miRNAs 找到差异表达基因。使用 String 数据库和 Omicshare 平台进行蛋白质-蛋白质相互作用分析和治疗靶点的富集分析。通过 DockThor 平台进行分子对接。本研究共筛选出 28 种药物化合物和 228 个药物靶点。通过 GEO2R 软件分析共获得 9 个 miRNAs 和 6649 个疾病靶点，最终得到 97 个治疗靶点。共获得 1124 个基因本体论富集分析结果。治疗靶点在生物过程、分子功能和细胞组织中发挥多种作用。京都基因与基因组百科全书通路富集分析表明，虻虫-红花药对治疗 RF 主要通过钙信号通路、癌症通路、cAMP 信号通路等通路发挥作用。分子对接表明，中药化合物与靶点具有良好的结合能力。虻虫和红花通过多个靶点和多个通路发挥治疗 RF 的作用，为后续研究和新药开发提供了思路和参考。
