Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors

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We report the identification of three structurally diverse compounds – compound 4, GC376, and MAC-5576 – as inhibitors of the SARS-CoV-2 3CL protease. Structures of each of these compounds in complex with the protease revealed strategies for further development, as well as general principles for des...

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Autores principales: Iketani, Sho, Forouhar, Farhad, Liu, Hengrui, Hong, Seo Jung, Lin, Fang-Yu, Nair, Manoj S., Zask, Arie, Huang, Yaoxing, Xing, Li, Stockwell, Brent R., Chavez, Alejandro, Ho, David D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Cold Spring Harbor Laboratory 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418712/
https://www.ncbi.nlm.nih.gov/pubmed/32793898
http://dx.doi.org/10.1101/2020.08.03.235291
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author Iketani, Sho
Forouhar, Farhad
Liu, Hengrui
Hong, Seo Jung
Lin, Fang-Yu
Nair, Manoj S.
Zask, Arie
Huang, Yaoxing
Xing, Li
Stockwell, Brent R.
Chavez, Alejandro
Ho, David D.
author_facet Iketani, Sho
Forouhar, Farhad
Liu, Hengrui
Hong, Seo Jung
Lin, Fang-Yu
Nair, Manoj S.
Zask, Arie
Huang, Yaoxing
Xing, Li
Stockwell, Brent R.
Chavez, Alejandro
Ho, David D.
author_sort Iketani, Sho
collection PubMed
description We report the identification of three structurally diverse compounds – compound 4, GC376, and MAC-5576 – as inhibitors of the SARS-CoV-2 3CL protease. Structures of each of these compounds in complex with the protease revealed strategies for further development, as well as general principles for designing SARS-CoV-2 3CL protease inhibitors. These compounds may therefore serve as leads for the basis of building effective SARS-CoV-2 3CL protease inhibitors.
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spelling pubmed-74187122020-08-13 Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors Iketani, Sho Forouhar, Farhad Liu, Hengrui Hong, Seo Jung Lin, Fang-Yu Nair, Manoj S. Zask, Arie Huang, Yaoxing Xing, Li Stockwell, Brent R. Chavez, Alejandro Ho, David D. bioRxiv Article We report the identification of three structurally diverse compounds – compound 4, GC376, and MAC-5576 – as inhibitors of the SARS-CoV-2 3CL protease. Structures of each of these compounds in complex with the protease revealed strategies for further development, as well as general principles for designing SARS-CoV-2 3CL protease inhibitors. These compounds may therefore serve as leads for the basis of building effective SARS-CoV-2 3CL protease inhibitors. Cold Spring Harbor Laboratory 2020-08-04 /pmc/articles/PMC7418712/ /pubmed/32793898 http://dx.doi.org/10.1101/2020.08.03.235291 Text en https://creativecommons.org/licenses/by-nc-nd/4.0/It is made available under a CC-BY-NC-ND 4.0 International license (https://creativecommons.org/licenses/by-nc-nd/4.0/) .
spellingShingle Article
Iketani, Sho
Forouhar, Farhad
Liu, Hengrui
Hong, Seo Jung
Lin, Fang-Yu
Nair, Manoj S.
Zask, Arie
Huang, Yaoxing
Xing, Li
Stockwell, Brent R.
Chavez, Alejandro
Ho, David D.
Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors
title Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors
title_full Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors
title_fullStr Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors
title_full_unstemmed Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors
title_short Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors
title_sort lead compounds for the development of sars-cov-2 3cl protease inhibitors
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418712/
https://www.ncbi.nlm.nih.gov/pubmed/32793898
http://dx.doi.org/10.1101/2020.08.03.235291
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