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Screening out anti-inflammatory or anti-viral targets in Xuanfei Baidu Tang through a new technique of reverse finding target.
- Source :
-
Bioorganic chemistry [Bioorg Chem] 2021 Nov; Vol. 116, pp. 105274. Date of Electronic Publication: 2021 Aug 19. - Publication Year :
- 2021
-
Abstract
- Traditional Chinese herbal compound prescription in Xuanfei Baidu Tang (XBT) has obvious effects in the treatment of COVID-19. However, its effective compounds and targets for the treatment of COVID-19 remain unclear. Computer-Aided Drug Design is used to virtually screen out the anti-inflammatory or anti-viral compounds in XBT, and predict the potential targets by Discovery Studio 2020. Then, we searched for COVID-19 targets using Genecards databases and Protein Data Bank (PDB) databases and compared them to identify targets that were common to both. Finally, the target we screened out is: TP53 (Tumor Protein P53). This article also shows that XBT in the treatment of COVID-19 works in a multi-link and overall synergistic manner. Our results will help to design the new drugs for COVID-19.<br /> (Copyright © 2021 Elsevier Inc. All rights reserved.)
- Subjects :
- Anti-Inflammatory Agents, Non-Steroidal chemistry
Antiviral Agents chemistry
Drug Evaluation, Preclinical
Drugs, Chinese Herbal chemistry
Humans
Medicine, Chinese Traditional
Molecular Structure
SARS-CoV-2 metabolism
Tumor Suppressor Protein p53 antagonists & inhibitors
Tumor Suppressor Protein p53 metabolism
Anti-Inflammatory Agents, Non-Steroidal pharmacology
Antiviral Agents pharmacology
Drugs, Chinese Herbal pharmacology
SARS-CoV-2 drug effects
COVID-19 Drug Treatment
Subjects
Details
- Language :
- English
- ISSN :
- 1090-2120
- Volume :
- 116
- Database :
- MEDLINE
- Journal :
- Bioorganic chemistry
- Publication Type :
- Academic Journal
- Accession number :
- 34455301
- Full Text :
- https://doi.org/10.1016/j.bioorg.2021.105274