基于网络药理学和分子对接，我们研究了菜血宝合剂（SXBM）治疗缺铁性贫血（IDA）的作用机制。我们筛选了HERB、中药系统药理学数据库和分析平台数据库，以确定SXBM的活性成分和靶点。与"缺铁性贫血"相关的靶点从GeneCards、TTD和OMIM数据库中收集。使用Cytoscape 3.8.2构建了成分-靶点交互网络。候选靶点的蛋白质-蛋白质相互作用网络使用STRING数据库生成，并用Cytoscape 3.8.2软件可视化。聚类分析获得的核心模块进行了Gene Ontology和Kyoto基因和基因组丰富分析。最后，使用Autodock Vina软件对关键靶点和活性成分进行了分子对接验证。共鉴定出174个活性成分和111个基因作为IDA治疗的潜在活性成分和靶点，包括槲皮素、山奈酚、芦丁、β-谷固醇等黄酮类物质作为主要活性成分。Gene Ontology丰富分析显示，交叉基因富集于2328个生物过程、71个细胞成分表达过程和157个分子功能过程。基因和基因组的京都基因和基因组丰富分析主要涉及前列腺癌、乙型肝炎、卡波氏肉瘤相关疱疹病毒感染、内分泌耐药、脂质和动脉粥样硬化、中心碳代谢在癌症中和人类巨细胞病毒感染与HIF-1信号通路。STAT3、SRC、PIK3R1和GRB2被选为核心靶点。分子对接结果显示关键成分与其相应的靶蛋白之间有很强的相互作用。网络药理学分析表明，SXBM通过调节多种生物过程和相关信号通路治疗IDA。这为进一步阐明SXBM治疗IDA的分子机制奠定了基础。版权所有©2023作者。Wolters Kluwer Health出版。

Based on network pharmacology and molecular docking, we investigated the mechanism of action of Sheng Xue Bao mixture (SXBM) in treating iron deficiency anemia (IDA). We screened the HERB and traditional Chinese medicine systems pharmacology database and analysis platform databases to identify the active ingredients and targets of SXBM. The targets associated with "iron deficiency anemia" were collected from GeneCards, TTD, and OMIM databases. A component-target interaction network was constructed using Cytoscape 3.8.2. The protein-protein interaction network of candidate targets was generated using the STRING database and visualized with Cytoscape 3.8.2 software. Core modules obtained from clustering analysis were subjected to Gene Ontology and Kyoto encyclopedia of genes and genomes enrichment analysis. Finally, molecular docking validation of key targets and active components was performed using Autodock Vina software. A total of 174 active components and 111 genes were identified as potential active components and targets for IDA treatment, including quercetin, kaempferol, luteolin, beta-sitosterol, and other flavonoids as main active components. Gene Ontology enrichment analysis show that interleaved genes are enriched in 2328 biological processes, 71 cellular component expression processes, and 157 molecular function processes. Kyoto encyclopedia of genes and genomes analysis mainly envolved Prostate cancer, Hepatitis B, Kaposi sarcoma-associated herpesvirus infection, Endocrine resistance, Lipid and atherosclerosis, Central carbon metabolism in cancer, Human cytomegalovirus infection and HIF-1 signaling pathway. STAT3, SRC, PIK3R1, and GRB2 were selected as core targets. The molecular docking results demonstrated strong interactions between key components and their respective target proteins. Network pharmacological analysis suggested that SXBM could treat IDA by regulating various biological processes and related signaling pathways. It laid the foundation for further elucidating the molecular mechanism of SXBM treatment of IDA.Copyright © 2023 the Author(s). Published by Wolters Kluwer Health, Inc.