Wu Jiaqi, Li Ming, Li Ang, Ji Xunming
Beijing Advanced Innovation Center for Big Data-Based Precision Medicine, School of Biological Science and Medical Engineering, Beihang University, Beijing, China.
China-America Institute of Neuroscience, Xuanwu Hospital, Capital Medical University, Beijing, China.
Evid Based Complement Alternat Med. 2022 Sep 12;2022:1767421. doi: 10.1155/2022/1767421. eCollection 2022.
In this study, SymMap was used to screen the 50 bioactive scored components and 65 putative targets of and their targets were standardized using the UniProt platform. The disease targets related to stroke were collected by comparative toxicogenomics database (CTD), GeneCards, and quantitative structure-activity relationships-TargetNet (QSAR-TargetNet). Thereafter, the protein-protein interaction (PPI) network was constructed using the STRING platform and visualized by Cytoscape (3.8.2) software. Then, the Metascape platform was used to analyze the Gene Ontology (GO) enrichment analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway. Cytoscape (3.7.2) software was also used to construct the network of the "herb-component-target-pathway." We found that Tanshinol B, Tanshinol A, Przewaquinone C, Tanshinone II, and other main components of may regulate neurotransmitters and neurological function. Therefore, we speculate has a neuroprotective effect. For further verification, potential core targets (STAT3, MMP2, ESR1, TERT, and MMP9 proteins) for ischemic stroke and core active ingredients (Tanshinol A, Tanshinol B, Tanshinone II A, and Przewaquinone C) for were further verified by molecular docking.
Our findings revealed that Tanshinol A, Tanshinol B, Tanshinone II A, and Przewaquinone C as the main component of may have a neuroprotective effect against ischemic stroke, which provides a new understanding for the development of therapies for the prevention and treatment of ischemic stroke.
在本研究中,使用SymMap筛选了50种生物活性评分成分及其65个推定靶点,并使用UniProt平台对其靶点进行了标准化。通过比较毒理基因组学数据库(CTD)、GeneCards和定量构效关系-靶点网络(QSAR-TargetNet)收集与中风相关的疾病靶点。此后,使用STRING平台构建蛋白质-蛋白质相互作用(PPI)网络,并通过Cytoscape(3.8.2)软件进行可视化。然后,使用Metascape平台进行基因本体(GO)富集分析和京都基因与基因组百科全书(KEGG)通路分析。还使用Cytoscape(3.7.2)软件构建“草药-成分-靶点-通路”网络。我们发现丹参素B、丹参素A、紫草酸C、丹参酮II等丹参的主要成分可能调节神经递质和神经功能。因此,我们推测丹参具有神经保护作用。为进一步验证,通过分子对接对缺血性中风的潜在核心靶点(STAT3、MMP2、ESR1、TERT和MMP9蛋白)和丹参的核心活性成分(丹参素A、丹参素B、丹参酮II A和紫草酸C)进行了进一步验证。
我们的研究结果表明,丹参素A、丹参素B、丹参酮II A和紫草酸C作为丹参的主要成分,可能对缺血性中风具有神经保护作用,这为缺血性中风预防和治疗疗法的开发提供了新的认识。