Tropical Journal of Pharmaceutical Research

Original Research Article | OPEN ACCESS

Elucidation of mechanisms of action of Wei-Sheng-Fang-Yi-Bao-Dan in the treatment of COVID-19 and depression using network pharmacology and molecular docking

Haicheng Han¹, Rui Fang², Dan Wang¹, Yong Yang^1,3 , Xiaoqing Fu³, Kangle Rui⁴

¹School of Public Health, Hangzhou Normal University, Hangzhou, China; ²School of the Integrated Chinese and Western Medicine, Hunan University of Chinese Medicine, Changsha, China; ³Hangzhou TCM Hospital Affiliated to Zhejiang Chinese Medical University, Hangzhou, China; ⁴Hangzhou Gongshu Hospital of Integrated Traditional and Western Medicine, Hangzhou, China.

For correspondence:- Yong Yang Email: yyyg1107@sina.com Tel:+8618958077618

Accepted: 25 August 2022 Published: 30 September 2022

Citation: Han H, Fang R, Wang D, Yang Y, Fu X, Rui K. Elucidation of mechanisms of action of Wei-Sheng-Fang-Yi-Bao-Dan in the treatment of COVID-19 and depression using network pharmacology and molecular docking. Trop J Pharm Res 2022; 21(9):1939-1949 doi: 10.4314/tjpr.v21i9.18

© 2022 The authors.
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Abstract

Purpose: To investigate the mechanisms of action of Wei-Sheng-Fang-Yi-Bao-Dan (WSFYBD) in the treatment of COVID-19 and depression using network pharmacology and molecular docking.

Methods: First, the bioactive components and target genes of WSFYBD were retrieved from TCMSP database. The relevant gene targets of depression and COVID-19 were obtained from databases. The core WSFYBD genes for treatment were separately obtained by determining gene intersection. Cytoscape 3.8.0 software was used to draw the visual interactive networks. STRING database was employed to construct protein-protein interaction networks, while Gene Ontology (GO), and Kyoto Encyclopedia of Genes and Genomes (KEGG) functional enrichment analyses were used to determine the function and pathway of target genes via a Bioconductor/R. Finally, AutoDockTools software was employed for molecular docking.

Results: A total of 105 potential bio-active components and 35 target genes of WSFYBD for COVID-19 therapy were identified. Also, 1905 GO entries (p < 0.05) and 158 related signal pathways (p < 0.05) for COVID-19 were obtained. Similarly, 114 potential bio-active components of WSFYBD and 127 potential therapeutic targets of depression were identified. Moreover, 1948 GO entries (p < 0.05) and 177 related signal pathways for depression were retrieved (p < 0.05). Docking results showed the main bio-active components were closely bound to the core targets.

Conclusion: The mechanisms for treating COVID-19 show that WSFYBD directly acts on SARS-CoV-2 virus to prevent it from entering the host cell, or inhibits virus replication. Secondly, WSFYBD ameliorates depression by acting on key targets that control over-activated cytokines. Therefore, WSFYBD has potentials for the management of COVID-19 and depression.

Keywords: COVID-19, Depression, Wei-Sheng-Fang-Yi-Bao-Dan, Network pharmacology, Molecular docking, Traditional Chinese medicine (TCM)