Department of Neurology, Hainan General Hospital, Hainan Affiliated Hospital of Hainan Medical University, Haikou, China.
Department of Neurology, Hainan General Hospital, Hainan Affiliated Hospital of Hainan Medical University, Haikou, China;
Allergol Immunopathol (Madr). 2022 May 1;50(3):138-150. doi: 10.15586/aei.v50i3.489. eCollection 2022.
Network pharmacology is a bioinformatics-based research strategy aimed at identifying drug actions and facilitating drug discovery. In this study, network pharmacology was used for exploring the anti-epileptic multi-target mechanism of Rhizoma Coptidis. The possible protein targets of Rhizoma Coptidis were predicted by constructing the pathway and network of drug targets. Then, the interaction of the main active components of Rhizoma Coptidis and predicted candidate targets were verified using molecular docking technology. Finally, nine active compounds were selected from Rhizoma Coptidis. A total of 68 targets associated with Rhizoma Coptidis treating epilepsy. The key targets were AKT1, IL6, VEGFA, and TP53. According to GO functional enrichment analysis, 289 items of biological process, 33 items of cellular component, and 55 items of molecular function were obtained. A total of 89 signaling pathways were identified through KEGG pathway enrichment analysis (P < 0.05), and HIF-1, TNF, and T-cell receptor signaling pathways were mainly related to epilepsy. Molecular docking showed quercetin and (R)-canadine combined well with the key targets. The active ingredient in Rhizoma Coptidis can regulate various signaling pathways, and have therapeutic effects on epilepsy.
网络药理学是一种基于生物信息学的研究策略,旨在确定药物作用并促进药物发现。本研究采用网络药理学方法探讨黄连抗癫痫的多靶点作用机制。通过构建药物靶点通路和网络预测黄连的潜在蛋白靶点,然后利用分子对接技术验证黄连主要活性成分与预测候选靶点的相互作用。最后从黄连中筛选出 9 个活性化合物,共得到与黄连治疗癫痫相关的 68 个靶点。关键靶点有 AKT1、IL6、VEGFA 和 TP53。根据 GO 功能富集分析,共获得 289 项生物过程、33 项细胞成分和 55 项分子功能条目。通过 KEGG 通路富集分析共鉴定到 89 条信号通路(P<0.05),其中 HIF-1、TNF 和 T 细胞受体信号通路与癫痫的关系较为密切。分子对接显示槲皮素和(R)-卡纳定与关键靶点结合良好。黄连的活性成分可调节多种信号通路,对癫痫具有治疗作用。