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Bioinformatic assay reveal the potential mechanism of Guizhi-Shaoyao-Zhimu decoction against rheumatoid arthritis and mild-to-moderate COVID-19.
Xu, Yongyu; Huang, Zebin; Wu, Guangping; Jin, Fujun; Lin, Shuojia; Zhang, Chuang; Zheng, Jie; Liu, Wenjie; Hou, Jinqiang; Lu, Yu-Jing.
  • Xu Y; School of Biomedical and Pharmaceutical Sciences, Guangdong University of Technology, Guangzhou 510006, China.
  • Huang Z; School of Biomedical and Pharmaceutical Sciences, Guangdong University of Technology, Guangzhou 510006, China.
  • Wu G; The Second Affiliated Hospital of Guangzhou University of Chinese Medicine (Guangdong Provincial Hospital of Chinese Medicine), Guangzhou, China.
  • Jin F; School of Biomedical and Pharmaceutical Sciences, Guangdong University of Technology, Guangzhou 510006, China.
  • Lin S; School of Biomedical and Pharmaceutical Sciences, Guangdong University of Technology, Guangzhou 510006, China.
  • Zhang C; School of Biomedical and Pharmaceutical Sciences, Guangdong University of Technology, Guangzhou 510006, China.
  • Zheng J; School of Biomedical and Pharmaceutical Sciences, Guangdong University of Technology, Guangzhou 510006, China.
  • Liu W; Department of Chemistry, Lakehead University and Thunder Bay Regional Health Research Institute, 980 Oliver Road, Thunder Bay, ON, Canada.
  • Hou J; Department of Chemistry, Lakehead University and Thunder Bay Regional Health Research Institute, 980 Oliver Road, Thunder Bay, ON, Canada.
  • Lu YJ; School of Biomedical and Pharmaceutical Sciences, Guangdong University of Technology, Guangzhou 510006, China; Golden Health (Guangdong) Biotechnology Co., Ltd, 99 Taoyuan East Road, Shishan, District, Foshan 528225 China. Electronic address: luyj@gdut.edu.cn.
Comput Methods Programs Biomed ; 238: 107584, 2023 Aug.
Article in English | MEDLINE | ID: covidwho-2311671
ABSTRACT
BACKGROUND AND

OBJECTIVE:

Patients with rheumatoid arthritis (RA) are more susceptible to severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) than healthy population, but there is still no therapeutic strategy available for RA patients with corona virus disease 2019 (COVID-19). Guizhi-Shaoyao-Zhimu decoction (GSZD), Chinese ancient experience decoction, has a significant effect on the treatment of Rheumatism and gout. To prevent RA patients with mild-to-moderate COVID-19 from developing into severe COVID-19, this study explored the potential possibility and mechanism of GSZD in the treatment of this population.

METHODS:

In this study, we used bioinformatic approaches to explore common pharmacological targets and signaling pathways between RA and mild-to-moderate COVID-19, and to assess the potential mechanisms of in the treatment of patients with both diseases. Beside, molecular docking was used to explore the molecular interactions between GSZD and SARS-CoV-2 related proteins.

RESULTS:

Results showed that 1183 common targets were found in mild-to-moderate COVID-19 and RA, of which TNF was the most critical target. The crosstalk signaling pathways of the two diseases focused on innate immunity and T cells pathways. In addition, GSZD intervened in RA and mild-to-moderate COVID-19 mainly by regulating inflammation-related signaling pathways and oxidative stress. Twenty hub compounds in GSZD exhibited good binding potential to SARS-CoV-2 spike (S) protein, 3C-like protease (3CLpro), RNA-dependent RNA polymerase (RdRp), papain-like protease (PLpro) and human angiotensin-converting enzyme 2 (ACE2), thereby intervening in viral infection, replication and transcription.

CONCLUSIONS:

This finding provides a therapeutic option for RA patients against mild-to-moderate COVID-19, but further clinical validation is still needed.
Subject(s)
Keywords

Full text: Available Collection: International databases Database: MEDLINE Main subject: Arthritis, Rheumatoid / COVID-19 Type of study: Prognostic study Limits: Humans Language: English Journal: Comput Methods Programs Biomed Journal subject: Medical Informatics Year: 2023 Document Type: Article Affiliation country: J.cmpb.2023.107584

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Full text: Available Collection: International databases Database: MEDLINE Main subject: Arthritis, Rheumatoid / COVID-19 Type of study: Prognostic study Limits: Humans Language: English Journal: Comput Methods Programs Biomed Journal subject: Medical Informatics Year: 2023 Document Type: Article Affiliation country: J.cmpb.2023.107584