Screening of potential spike glycoprotein / ACE2 dual antagonists against COVID-19 in silico molecular docking

The novel coronavirus disease has spread rapidly and caused sustained pressure on economic and medical resources to many countries. Vaccines and effective drugs are needed to fight against the epidemic. Traditional Chinese Medicine (TCM) plays an important and effective role in the treatment of COVI...

Descripción completa

Detalles Bibliográficos
Autores principales: Yu, Ran, Li, Peng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier B.V. 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8660130/
https://www.ncbi.nlm.nih.gov/pubmed/34896453
http://dx.doi.org/10.1016/j.jviromet.2021.114424
_version_ 1784613123211132928
author Yu, Ran
Li, Peng
author_facet Yu, Ran
Li, Peng
author_sort Yu, Ran
collection PubMed
description The novel coronavirus disease has spread rapidly and caused sustained pressure on economic and medical resources to many countries. Vaccines and effective drugs are needed to fight against the epidemic. Traditional Chinese Medicine (TCM) plays an important and effective role in the treatment of COVID-19. Therefore, the active components of TCM are potential structural basis for the discovery of antiviral drugs. Through screening by molecular docking, Oleanolic acid, Tryptanthrin, Chrysophanol and Rhein were found to have better spike protein and ACE2 inhibitory activity, which could block the invasion and recognition of SARS-CoV-2 at the same time, should be investigated as antiviral candidates.
format Online
Article
Text
id pubmed-8660130
institution National Center for Biotechnology Information
language English
publishDate 2022
publisher Elsevier B.V.
record_format MEDLINE/PubMed
spelling pubmed-86601302021-12-10 Screening of potential spike glycoprotein / ACE2 dual antagonists against COVID-19 in silico molecular docking Yu, Ran Li, Peng J Virol Methods Article The novel coronavirus disease has spread rapidly and caused sustained pressure on economic and medical resources to many countries. Vaccines and effective drugs are needed to fight against the epidemic. Traditional Chinese Medicine (TCM) plays an important and effective role in the treatment of COVID-19. Therefore, the active components of TCM are potential structural basis for the discovery of antiviral drugs. Through screening by molecular docking, Oleanolic acid, Tryptanthrin, Chrysophanol and Rhein were found to have better spike protein and ACE2 inhibitory activity, which could block the invasion and recognition of SARS-CoV-2 at the same time, should be investigated as antiviral candidates. Elsevier B.V. 2022-03 2021-12-10 /pmc/articles/PMC8660130/ /pubmed/34896453 http://dx.doi.org/10.1016/j.jviromet.2021.114424 Text en © 2021 Elsevier B.V. All rights reserved. Since January 2020 Elsevier has created a COVID-19 resource centre with free information in English and Mandarin on the novel coronavirus COVID-19. The COVID-19 resource centre is hosted on Elsevier Connect, the company's public news and information website. Elsevier hereby grants permission to make all its COVID-19-related research that is available on the COVID-19 resource centre - including this research content - immediately available in PubMed Central and other publicly funded repositories, such as the WHO COVID database with rights for unrestricted research re-use and analyses in any form or by any means with acknowledgement of the original source. These permissions are granted for free by Elsevier for as long as the COVID-19 resource centre remains active.
spellingShingle Article
Yu, Ran
Li, Peng
Screening of potential spike glycoprotein / ACE2 dual antagonists against COVID-19 in silico molecular docking
title Screening of potential spike glycoprotein / ACE2 dual antagonists against COVID-19 in silico molecular docking
title_full Screening of potential spike glycoprotein / ACE2 dual antagonists against COVID-19 in silico molecular docking
title_fullStr Screening of potential spike glycoprotein / ACE2 dual antagonists against COVID-19 in silico molecular docking
title_full_unstemmed Screening of potential spike glycoprotein / ACE2 dual antagonists against COVID-19 in silico molecular docking
title_short Screening of potential spike glycoprotein / ACE2 dual antagonists against COVID-19 in silico molecular docking
title_sort screening of potential spike glycoprotein / ace2 dual antagonists against covid-19 in silico molecular docking
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8660130/
https://www.ncbi.nlm.nih.gov/pubmed/34896453
http://dx.doi.org/10.1016/j.jviromet.2021.114424
work_keys_str_mv AT yuran screeningofpotentialspikeglycoproteinace2dualantagonistsagainstcovid19insilicomoleculardocking
AT lipeng screeningofpotentialspikeglycoproteinace2dualantagonistsagainstcovid19insilicomoleculardocking

Ejemplares similares