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基于网络药理学和分子对接探究黄芪-女贞子治疗免疫缺陷病的作用机制 被引量:12

Mechanism of Astragalus-Ligustrum lucidum in the Treatment of Immunodeficiency Diseases Based on Network Pharmacology and Molecular Docking
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摘要 本文利用网络药理学和分子对接技术探索黄芪-女贞子治疗免疫缺陷病(IDD)的作用机制。综合利用TCMSP、Swiss Tagert Prediction和Genecards等在线数据库搜集黄芪-女贞子化学成分及治疗IDD靶点,构建黄芪-女贞子治疗IDD的"化合物-靶点-疾病"和蛋白互作网络;基于DAVID数据库及ClueGo插件进行潜在靶点的基因本体(GO)注释及KEGG通路富集分析;采用Vina软件对活性成分与潜在靶点进行分子对接验证结合活性。网络分析获得黄芪-女贞子治疗IDD的31个活性成分和81个靶点;GO功能富集分析表明黄芪-女贞子治疗IDD可能涉及MAP激酶活性的正向调节等152条生物过程和α-βT细胞活化等23个免疫系统过程,KEGG通路结果显示参与癌症途径、前列腺癌等91条KEGG通路;分子对接结果显示山奈酚等成分与MAPK1等蛋白结合稳定。黄芪-女贞子通过多种活性成分协同作用于不同靶点、多种途径发挥辅助治疗IDD的作用,可为开发成对应的膳食补充剂提供参考。 The network pharmacology and molecular docking technology were applied to explore the mechanism of trratment Immunodeficiency Diseases(IDD)of Astragalus and Ligustrum lucidum.Traditional Chinese Medicine Systems Pharmacology(TCMSP),Swiss Tagert Prediction,Genecards and other online databases were used to select the active compounds and potential targets of Astragalus and Ligustrum lucidum,and build the compound-target-disease network and protein-protein interaction network.The enrichment of gene ontology(GO)function analysis by DAVID and ClueGo and the pathway enrichment analysis by Kyoto Encyclopedia of Genes and Genomes(KEGG)were carried out.Finally,molecular docking studies were carried out to verify the binding of core components and targets.A total of 31 active components and 81 targets of Astragalus and Ligustrum lucidum in the treatment of IDD were obtained by network analysis.The results of GO function enrichment analysis showed that the treatment of Astragalus-Ligustrum lucidum may involved 152 biological processes such as the positive regulation of MAP kinase activity and 23 immune system processes such as α-β T cell activation.The results of KEGG pathway showed that it were 91 KEGG pathways involved in cancer pathways and prostate cancer.The results of molecular docking showed that kaempferol had good binding activity to MAPK1 and other proteins.The molecular mechanism of Astragalus and Ligustrum lucidum in the treatment of IDD indicated the synergistic features of multi-component,multi-target,and multi-pathway,which provided reference for the development of dietary supplements.
作者 赵志恒 毕经会 叶诗洁 黄永康 闵婷 王宏勋 王丽梅 ZHAO Zhiheng;BI Jinghui;YE Shijie;HUANG Yongkang;MIN Ting;WANG Hongxun;WANG Limei(College of Life Science and Technology,Wuhan Polytechnic University,Wuhan 430023,China;College of Food Science and Engineering,Wuhan Polytechnic University,Wuhan 430023,China;Hubei Engineering Research Center for Fresh Food,Wuhan 430023,China)
出处 《食品工业科技》 CAS 北大核心 2022年第3期374-383,共10页 Science and Technology of Food Industry
基金 湖北省重点研发计划项目(2020BBB074) 国家重点研发计划项目(2018YFD0400603)。
关键词 网络药理学 黄芪 女贞子 免疫缺陷病 分子对接 network pharmacology Astragalus Ligustrum lucidum immunodeficiency molecular docking
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