基于网络药理学探讨孟河医派“青黛拌天冬”作用机制

Exploring the mechanism of"mixed asparagus cochinchinensis with indigo naturalis"in Menghe medical school based on network pharmacology

目的探讨孟河医派“青黛拌天冬”作用机制。方法检索数据库获得天冬、青黛的活性成分、作用靶点、疾病相关等信息,构建“药物-成分-靶点”“靶点-疾病”及蛋白质-蛋白质相互作用(PPI)网络,并进行基因本体(GO)功能和京都基因与基因组百科全书(KEGG)通路富集分析,研究“青黛拌天冬”的作用机制。结果“药物-成分-靶点”网络包含158个节点,关键活性成分有来自天冬中的槲皮素、7-甲氧基-2-甲基异黄酮、豆甾醇、石吊兰素和青黛中的靛玉红、色胺酮及两者共有成分β-谷甾醇,而关键靶点涉及前列腺素内过氧化物合酶2(PTGS2)、前列腺素内过氧化物合酶1(PTGS1)、单胺氧化酶B(MAOB)、β_(2)肾上腺素受体(ADRB2)、蛋白激酶(cAMP)激活催化亚基α(PRKACA)等。PPI网络中关键靶点涉及肿瘤坏死因子(TNF)、Jun原癌基因(JUN)、雌激素受体α基因(ESR1)、热休克蛋白90α家族A类成员1(HSP90AA1)等。GO条目中生物过程相关条目有115个,分子功能相关条目有33条,细胞组成相关条目有35个。KEGG通路涉及肿瘤信号通路、神经活性配体-受体相互作用通路、流体剪切应力与动脉粥样硬化等。结论初步预测了以青黛拌衣天冬可在癌症、心血管、神经及炎症等多方面发挥优势效用,为天冬临床运用拓展提供参考。

Objective To explore the mechanism of Menghe medical school"mixed asparagus cochinchinensis with indigo naturalis".Methods The active ingredients,target sites and disease-related information of aspartate and indigo were retrieved from the database,and the"drug-ingredient-target""target-disease"and protein-protein interaction(PPI)networks were constructed,and the gene ontology(GO)function and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis were performed to study the mechanism of"mixed asparagus cochinchinensis with indigo naturalis".Results The"drug-ingredient-target"network consisted of 158 nodes,and the key active components were quercetin from aspartame,7-methoxy-2-methyl isoflavone,stigmasterol,sphaerolin,indiaudin from indigo,tryptamine andβ-sitosterol,which were the common components of both.The key targets involved prostaglandin-endoperoxide synthases 2(PTGS2),prostaglandin-endoperoxide synthases 1(PTGS1),monoamine oxidase B(MAOB),β_(2)-drenergic receptor(ADRB2),protein kinase cAMP-activated catalytic subunit alpha(PRKACA)and so on.The key targets in PPI network include tumor necrosis factor(TNF),Jun proto-oncogene(JUN),estrogen receptor 1(ESR1),heat shock protein 90αfamily member 1(HSP90AA1),etc.There are 115 items related to biological processes in GO,33 items related to molecular functions,and 35 items related to cell composition.KEGG pathway involves tumor signaling pathway,neuroactive ligand-receptor interaction pathway,fluid shear stress and atherosclerosis.Conclusion It is preliminarily predicted that mixed asparagus cochinchinensis with indigo naturalis can play an advantageous role in cancer,cardiovascular,nerve and inflammation,and provide reference for the clinical application of asparagus cochinchinensis.