1887

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Volume 71, Issue 5

Feasibility analysis and mechanism exploration of (RS) against COVID-19 Open Access

Abstract

As a novel global epidemic, corona virus disease 2019 (COVID-19) caused by SARS-CoV-2 brought great suffering and disaster to mankind. Recently, although significant progress has been made in vaccines against SARS-CoV-2, there are still no drugs for treating COVID-19. It is well known that traditional Chinese medicine (TCM) has achieved excellent efficacy in the treatment of COVID-19 in China. As a treasure-house of natural drugs, Chinese herbs offer a promising prospect for discovering anti-COVID-19 drugs.

We proposed that (RS) may have potential value in the treatment of COVID-19 patients by regulating immune response, protecting the cardiovascular system, inhibiting the production of inflammatory factors, and blocking virus invasion and replication processes.

We aimed to explore the feasibility and molecular mechanisms of RS against COVID-19, to provide a reference for basic research and clinical applications.

Through literature mining, it is found that a Chinese herbal pair, RS, has potential anti-COVID-19 activity. In this study, we analysed the feasibility of RS against COVID-19 by high-throughput molecular docking and molecular dynamics simulations. Furthermore, we predicted the molecular mechanisms of RS against COVID-19 based on network pharmacology.

We proved the feasibility of RS anti-COVID-19 by literature mining, virtual docking and molecular dynamics simulations, and found that angiotensin converting enzyme 2 (ACE2) and 3C-like protease (3 CL pro) were also two critical targets for RS against COVID-19. In addition, we predicted the molecular mechanisms of RS in the treatment of COVID-19, and identified 29 main ingredients, 21 potential targets and 16 signalling pathways. Rhein, eupatin, (-)-catechin, aloe-emodin may be important active ingredients in RS. ALB, ESR1, EGFR, HMOX1, CTSL, and RHOA may be important targets against COVID-19. Platelet activation, renin secretion, ras signalling pathway, chemokine signalling pathway, and human cytomegalovirus infection may be important signalling pathways against COVID-19.

RS plays a key role in the treatment of COVID-19, which may be closely related to immune regulation, cardiovascular protection, anti-inflammation, virus invasion and replication processes.

  • Received:
  • Accepted:
  • Published Online:
Keyword(s): Chinese herb , COVID-19 , molecular mechanism and targets
Funding
This study was supported by the:
  • Key R & D project of Shandong Province (Award 2020CXGC010505)
    • Principle Award Recipient: Xiao-longWang
  • Projects of Medical and Health Technology Development Program in Shandong Province (Award 2019WS557)
    • Principle Award Recipient: Xiao-longWang
  • National Natural Science Foundation of China (Award No.82003715)
    • Principle Award Recipient: Xiao-longWang
  • Natural Science Foundation of Shandong Province (Award ZR2021LZY017)
    • Principle Award Recipient: Xiao-longWang
© 2022 The Authors
  • This is an open-access article distributed under the terms of the Creative Commons Attribution NonCommercial License. The Microbiology Society waived the open access fees for this article.
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2022-05-18
2024-05-13
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Feasibility analysis and mechanism exploration of Rhei Radix et Rhizome−Schisandrae Sphenantherae Fructus (RS) against COVID-19
J. Med. Microbiol. 71, 001528 (2022); https://doi.org/10.1099/jmm.0.001528
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