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Identification of potential therapeutic targets and mechanisms of COVID-19 through network analysis and screening of chemicals and herbal ingredients.
Wang, Hong; Zhang, Jingqing; Lu, Zhigang; Dai, Weina; Ma, Chuanjiang; Xiang, Yun; Zhang, Yonghong.
  • Wang H; Chongqing Key Research Laboratory for Drug Metabolism, College of Pharmacy, Chongqing Medical University, Chongqing, 400016, China.
  • Zhang J; Medical Data Science Academy, Chongqing Medical University, Chongqing, 400016, China.
  • Lu Z; Chongqing Engineering Research Center for Clinical Big-data and Drug Evaluation, Chongqing Medical University, Chongqing, 401331, China.
  • Dai W; Chongqing Key Research Laboratory for Drug Metabolism, College of Pharmacy, Chongqing Medical University, Chongqing, 400016, China.
  • Ma C; Department of Neurology, The First People's Hospital of Jingmen affiliated to Hubei Minzu University, Jingmen, 448000, China.
  • Xiang Y; Chongqing Key Research Laboratory for Drug Metabolism, College of Pharmacy, Chongqing Medical University, Chongqing, 400016, China.
  • Zhang Y; Chongqing Key Research Laboratory for Drug Metabolism, College of Pharmacy, Chongqing Medical University, Chongqing, 400016, China.
Brief Bioinform ; 23(1)2022 01 17.
Article in English | MEDLINE | ID: covidwho-1402354
ABSTRACT
After experiencing the COVID-19 pandemic, it is widely acknowledged that a rapid drug repurposing method is highly needed. A series of useful drug repurposing tools have been developed based on data-driven modeling and network pharmacology. Based on the disease module, we identified several hub proteins that play important roles in the onset and development of the COVID-19, which are potential targets for repositioning approved drugs. Moreover, different network distance metrics were applied to quantify the relationship between drug targets and COVID-19 disease targets in the protein-protein-interaction (PPI) network and predict COVID-19 therapeutic effects of bioactive herbal ingredients and chemicals. Furthermore, the tentative mechanisms of candidates were illustrated through molecular docking and gene enrichment analysis. We obtained 15 chemical and 15 herbal ingredient candidates and found that different drugs may play different roles in the process of virus invasion and the onset and development of the COVID-19 disease. Given pandemic outbreaks, our method has an undeniable immense advantage in the feasibility analysis of drug repurposing or drug screening, especially in the analysis of herbal ingredients.
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Full text: Available Collection: International databases Database: MEDLINE Main subject: Antiviral Agents / Drugs, Chinese Herbal / Drug Repositioning / Pandemics / Molecular Docking Simulation / SARS-CoV-2 / COVID-19 Drug Treatment Type of study: Observational study / Prognostic study Topics: Traditional medicine Limits: Humans Language: English Journal subject: Biology / Medical Informatics Year: 2022 Document Type: Article Affiliation country: Bib

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Full text: Available Collection: International databases Database: MEDLINE Main subject: Antiviral Agents / Drugs, Chinese Herbal / Drug Repositioning / Pandemics / Molecular Docking Simulation / SARS-CoV-2 / COVID-19 Drug Treatment Type of study: Observational study / Prognostic study Topics: Traditional medicine Limits: Humans Language: English Journal subject: Biology / Medical Informatics Year: 2022 Document Type: Article Affiliation country: Bib