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Screening out anti-inflammatory or anti-viral targets in Xuanfei Baidu Tang through a new technique of reverse finding target

descriptionPublicationkeyboard_double_arrow_right Article , Other literature type 01 Nov 2021 English Publisher:Elsevier BVJournal:Bioorganic Chemistry, volume 116, page 105,274 (issn: 0045-2068,

Authors: Jiuyu Zhan; Zixuan Wang; Hongwei Gao; Jumei Zhang;

doi: 10.1016/j.bioorg.2021.105274

pmid: 34455301

pmc: PMC8373853

Screening out anti-inflammatory or anti-viral targets in Xuanfei Baidu Tang through a new technique of reverse finding target

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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.

Related Organizations

Ludong University
China (People's Republic of)

Keywords

Molecular Structure, SARS-CoV-2, Anti-Inflammatory Agents, Non-Steroidal, Drug Evaluation, Preclinical, Antiviral Agents, Article, COVID-19 Drug Treatment, Humans, Medicine, Chinese Traditional, Tumor Suppressor Protein p53, Drugs, Chinese Herbal

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