Structure-based design, synthesis, and biological evaluation of peptidomimetic SARS-CoV 3CLpro inhibitors

Structure-based design, synthesis, and biological evaluation of a series of peptidomimetic severe acute respiratory syndrome-coronavirus chymotrypsin-like protease inhibitors are described. These inhibitors were designed and synthesized based upon our X-ray crystal structure of inhibitor 1 bound to...

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Autores principales: Ghosh, Arun K., Xi, Kai, Grum-Tokars, Valerie, Xu, Xiaoming, Ratia, Kiira, Fu, Wentao, Houser, Katherine V., Baker, Susan C., Johnson, Michael E., Mesecar, Andrew D.
Formato: Texto
Lenguaje:English
Publicado: Elsevier Ltd. 2007
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2112940/
https://www.ncbi.nlm.nih.gov/pubmed/17855091
http://dx.doi.org/10.1016/j.bmcl.2007.08.031
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author Ghosh, Arun K.
Xi, Kai
Grum-Tokars, Valerie
Xu, Xiaoming
Ratia, Kiira
Fu, Wentao
Houser, Katherine V.
Baker, Susan C.
Johnson, Michael E.
Mesecar, Andrew D.
author_facet Ghosh, Arun K.
Xi, Kai
Grum-Tokars, Valerie
Xu, Xiaoming
Ratia, Kiira
Fu, Wentao
Houser, Katherine V.
Baker, Susan C.
Johnson, Michael E.
Mesecar, Andrew D.
author_sort Ghosh, Arun K.
collection PubMed
description Structure-based design, synthesis, and biological evaluation of a series of peptidomimetic severe acute respiratory syndrome-coronavirus chymotrypsin-like protease inhibitors are described. These inhibitors were designed and synthesized based upon our X-ray crystal structure of inhibitor 1 bound to SARS-CoV 3CLpro. Incorporation of Boc-Ser as the P(4)-ligand resulted in enhanced SARS-CoV 3CLpro inhibitory activity. Structural analysis of the inhibitor-bound X-ray structure revealed high binding affinity toward the enzyme.
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spelling pubmed-21129402008-11-01 Structure-based design, synthesis, and biological evaluation of peptidomimetic SARS-CoV 3CLpro inhibitors Ghosh, Arun K. Xi, Kai Grum-Tokars, Valerie Xu, Xiaoming Ratia, Kiira Fu, Wentao Houser, Katherine V. Baker, Susan C. Johnson, Michael E. Mesecar, Andrew D. Bioorg Med Chem Lett Article Structure-based design, synthesis, and biological evaluation of a series of peptidomimetic severe acute respiratory syndrome-coronavirus chymotrypsin-like protease inhibitors are described. These inhibitors were designed and synthesized based upon our X-ray crystal structure of inhibitor 1 bound to SARS-CoV 3CLpro. Incorporation of Boc-Ser as the P(4)-ligand resulted in enhanced SARS-CoV 3CLpro inhibitory activity. Structural analysis of the inhibitor-bound X-ray structure revealed high binding affinity toward the enzyme. Elsevier Ltd. 2007-11-01 2007-08-19 /pmc/articles/PMC2112940/ /pubmed/17855091 http://dx.doi.org/10.1016/j.bmcl.2007.08.031 Text en Copyright © 2007 Elsevier Ltd. 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
Ghosh, Arun K.
Xi, Kai
Grum-Tokars, Valerie
Xu, Xiaoming
Ratia, Kiira
Fu, Wentao
Houser, Katherine V.
Baker, Susan C.
Johnson, Michael E.
Mesecar, Andrew D.
Structure-based design, synthesis, and biological evaluation of peptidomimetic SARS-CoV 3CLpro inhibitors
title Structure-based design, synthesis, and biological evaluation of peptidomimetic SARS-CoV 3CLpro inhibitors
title_full Structure-based design, synthesis, and biological evaluation of peptidomimetic SARS-CoV 3CLpro inhibitors
title_fullStr Structure-based design, synthesis, and biological evaluation of peptidomimetic SARS-CoV 3CLpro inhibitors
title_full_unstemmed Structure-based design, synthesis, and biological evaluation of peptidomimetic SARS-CoV 3CLpro inhibitors
title_short Structure-based design, synthesis, and biological evaluation of peptidomimetic SARS-CoV 3CLpro inhibitors
title_sort structure-based design, synthesis, and biological evaluation of peptidomimetic sars-cov 3clpro inhibitors
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2112940/
https://www.ncbi.nlm.nih.gov/pubmed/17855091
http://dx.doi.org/10.1016/j.bmcl.2007.08.031
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