Examining the effector mechanisms of Xuebijing injection on COVID-19 based on network pharmacology

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Examining the effector mechanisms of Xuebijing injection on COVID-19 based on network pharmacology Wen-jiang Zheng1†, Qian Yan1†, Yong-shi Ni2, Shao-feng Zhan3, Liu-liu Yang3, Hong-fa Zhuang3, Xiao-hong Liu3* and Yong Jiang4* * Correspondence: drlxh@foxmail. com; [email protected] † Wen-jiang Zheng and Qian Yan contributed equally to this work, and they should be regarded as cofirst author. 3 The First Affiliated Hospital of Guangzhou University of Chinese Medicine, Guangzhou, China 4 Shenzhen Hospital of Integrated Traditional Chinese and Western Medicine, Shenzhen, China Full list of author information is available at the end of the article

Abstract Background: Chinese medicine Xuebijing (XBJ) has proven to be effective in the treatment of mild coronavirus disease 2019 (COVID-19) cases. But the bioactive compounds and potential mechanisms of XBJ for COVID-19 prevention and treatment are unclear. This study aimed to examine the potential effector mechanisms of XBJ on COVID-19 based on network pharmacology. Methods: We searched Chinese and international papers to obtain the active ingredients of XBJ. Then, we compiled COVID-19 disease targets from the GeneCards gene database and via literature searches. Next, we used the SwissTargetPrediction database to predict XBJ’s effector targets and map them to the abovementioned COVID-19 disease targets in order to obtain potential therapeutic targets of XBJ. Cytoscape software version 3.7.0 was used to construct a “XBJ active-compoundpotential-effector target” network and protein-protein interaction (PPI) network, and then to carry out network topology analysis of potential targets. We used the ClueGO and CluePedia plugins in Cytoscape to conduct gene ontology (GO) biological process (BP) analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) signaling pathway enrichment analysis of XBJ’s effector targets. We used AutoDock vina and PyMOL software for molecular docking. (Continued on next page)

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