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Feasibility analysis and mechanism exploration of Rhei Radix et Rhizome-Schisandrae Sphenantherae Fructus (RS) against COVID-19.
Qi, Jian-Hong; Dong, Fang-Xu; Wang, Ke; Zhang, Shan-Yu; Liu, Zi-Ming; Wang, Wen-Jing; Sun, Feng-Zhi; Zhang, Hui-Min; Wang, Xiao-Long.
  • Qi JH; Shandong University of Traditional Chinese Medicine, Jinan 250355, PR China.
  • Dong FX; Shandong University of Traditional Chinese Medicine, Jinan 250355, PR China.
  • Wang K; Shandong University of Traditional Chinese Medicine, Jinan 250355, PR China.
  • Zhang SY; Shandong University of Traditional Chinese Medicine, Jinan 250355, PR China.
  • Liu ZM; Shandong University of Traditional Chinese Medicine, Jinan 250355, PR China.
  • Wang WJ; Shandong University of Traditional Chinese Medicine, Jinan 250355, PR China.
  • Sun FZ; The Pharmacy Department, Maternal and Child Health Care Hospital of Shandong Province, Jinan 250014, PR China.
  • Zhang HM; Shandong Academy of Chinese Medicine, Jinan 250014, PR China.
  • Wang XL; Shandong University of Traditional Chinese Medicine, Jinan 250355, PR China.
J Med Microbiol ; 71(5)2022 May.
Article in English | MEDLINE | ID: covidwho-1853315
ABSTRACT
Introduction. 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.Hypothesis/Gap Statement. We proposed that Rhei Radix et Rhizome-Schisandrae Sphenantherae Fructus (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.Aim. We aimed to explore the feasibility and molecular mechanisms of RS against COVID-19, to provide a reference for basic research and clinical applications.Methodology. 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.Results. 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.Conclusion. 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.
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Full text: Available Collection: International databases Database: MEDLINE Main subject: Drugs, Chinese Herbal / COVID-19 Type of study: Prognostic study Topics: Traditional medicine / Vaccines Limits: Humans Language: English Year: 2022 Document Type: Article

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Full text: Available Collection: International databases Database: MEDLINE Main subject: Drugs, Chinese Herbal / COVID-19 Type of study: Prognostic study Topics: Traditional medicine / Vaccines Limits: Humans Language: English Year: 2022 Document Type: Article