基于网络药理学和分子对接探究马齿苋治疗溃疡性结肠的作用机制

Exploring the Mechanism of Portulaca Oleracea L.in Treating Ulcerative Colitis Based on Network Pharmacology and Molecular Docking

为探究马齿苋治疗溃疡性结肠炎的作用机制,本试验采用网络药理学联合分子对接技术对其作用机制进行初步预测。利用TCMSP数据库,寻找马齿苋的活性成分及其作用靶点,使用Uniprot对靶点名称进行规范。溃疡性结肠炎的相关靶点来自Genecard、OMIM、Malacards疾病数据库,随后与马齿苋的靶点取交集,得到马齿苋治疗溃疡性结肠炎的关键靶点。网络药理学分析结果显示,马齿苋可能通过槲皮素、山萘酚、β-谷甾醇等10个活性成分作用于IL-1β、IL-6、VEGF等76个核心靶点发挥作用。通过对上述76个核心靶点进行富集分析后,发现癌症通路(Pathway in cancer)、PI3K-Akt通路及MAPK通路参与了马齿苋的治疗。分子对接结果也显示,马齿苋的活性成分与关键靶点均具有良好的连接活性,证明了网络药理学预测结果的准确性。本试验结果初步表明,马齿苋可以通过多成分、多靶点、多通路发挥治疗溃疡性结肠炎的作用。

This study utilized network pharmacology and molecular docking to explore the mechanism of Portulaca oleracea L.in the treatment of ulcerative colitis.The active ingredients and targets of Portulaca oleracea L.were obtained from the system pharmacology platform of traditional Chinese medicine,Uniprot database was used to standard the target name.The ulcerative colitis targets were obtained from the disease database such as Genecard、OMIM and Malacards,the online venny mapping platform was used to find the potential targets of Portulaca oleracea L.in the treatment of ulcerative colitis.The results of network pharmacology analysis showed that the therapeutic activity of Portulaca oleracea L.centered on 10 active components such as kaempferol,quercetin andβ-sitosterol acted on 76 key targets including IL-1β,IL-6 and VEGF.After enrichment analysis of the 76 core targets above,it was found that cancer pathway,PI3K-Akt signaling pathway and MAPK signaling pathway affected the therapeutic effect of Portulaca oleracea L.The results of molecular docking showed that the active ingredients had good binding activity with related targets,which proved the accuracy of the prediction results of network pharmacology.Thus,Portulaca oleracea L.regulates multiple targets and signal pathways through multiple components in the treatment of ulcerative colitis.