基于网络药理学与分子对接的新冠肺炎三焦疫毒寒湿症用药机理研究

doi:10.3976/j.issn.1002-4026.2021.01.001

Abstract

Abstract: To study a clinical drug combination of COVID-19 Sanjiao-Cold-Dampness Syndrome, network pharmacology and molecular docking mechanism were investigated to analyze the medication mechanism. 77 types of traditional Chinese medicine components and 4760 action targets were screened. GO(gene ontology) analysis and KEGG(kyoto encyclopedia of genes and genomes) enrichment analysis of core targets using the DAVID(the database for amotation,visualization and intergated discovery),mainly involving biological processes such as protein binding,ATP binding and singaling pathways such as PI3-Akt and FOXO. The results of Maestro molecular docking showed that the docking scores of the blood-related drug components and COVID-19 related targets were less than -5. The results show that various active components in the drug team can have a direct antiviral effect by combining with the related targets of SARS-CoV-2 and play a regulatory role in COVID-19 through various biological pathways.

Key words: Sanjiao-Cold-Dampness Syndrome, COVID-19, signal pathway, molecular docking；network pharmacology

CLC Number:

R285

DU Hai-tao, WANG Ping, LI Na, DING Jie, ZHANG Jing, YUAN Cheng-min, SUN Tie-feng, HAN Li, ZHANG Zhong-fa. Study on the medication mechanism of COVID-19 Sanjiao-Cold-Dampness Syndrome based on network pharmacology and molecular docking [J].Shandong Science, 2021, 34(1): 1-9.

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Study on the medication mechanism of COVID-19 Sanjiao-Cold-Dampness Syndrome based on network pharmacology and molecular docking

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