NATURAL PRODUCT RESEARCH AND DEVELOPMENT ›› 2021, Vol. 33 ›› Issue (增刊1): 93-99.doi: 10.16333/j.1001-6880.2021.S.011

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Study on network pharmacology and molecular docking of Hanchuanzupa granules in treating COVID-19

FAN Chen-yang1,MA Xuan1,2,JI Zhi-hong2,LI Ke-ao3,ZHOU Wen-ting2*   

  1. 1Research and Development Department,New Cicon Pharmaceutical Co.,Ltd.;2Xinjiang Medical University;3Xinjiang Cimu Pharmaceutical Research Institute (Co.,Ltd.),Urumqi 830011,China

  • Online:2021-08-28 Published:2021-09-08

Abstract:

To explore the potential active components of Hanchuanzupa granules against COVID-19 through network pharmacology and molecular docking.The components and targets of Hanchuanzupa granules were collected from TCMSP database and published articles,and the human genes were searched in UniProt database,then the targets of COVID-19 were obtained by NCBI and GeneCards database.Drug-component-target network was constructed by Cytoscape 3.7.2,gene ontology function (GO) and KEGG signal pathway were analyzed by R x64 3.6.2,and the key active components were docked with SARS-CoV-2 3CL and ACE2.As a result,112 active components and 235 targets were selected,133 signal pathways were gained by GO and KEGG analysis(P<0.001).The results of molecular docking showed that the key active components such as isorhamnose and β-sitosterol had good binding ability with SARS-CoV-2 3CL and ACE2.This study shows that the key active components in Hanchuanzupa granules can regulate multiple signal pathways by binding to their target proteins to inhibit COVID-19.

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