Structural basis of mercury‐ and zinc‐conjugated complexes as SARS‐CoV 3C‐like protease inhibitors

Five active metal‐conjugated inhibitors (PMA, TDT, EPDTC, JMF1586 and JMF1600) bound with the 3C‐like protease of severe acute respiratory syndrome (SARS)‐associated coronavirus were analyzed crystallographically. The complex structures reveal two major inhibition modes: Hg(2+)‐PMA is coordinated to...

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Autores principales: Lee, Cheng-Chung, Kuo, Chih-Jung, Hsu, Min-Feng, Liang, Po-Huang, Fang, Jim-Min, Shie, Jiun-Jie, Wang, Andrew H.-J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2007
Materias:
Short Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7094272/
https://www.ncbi.nlm.nih.gov/pubmed/17981158
http://dx.doi.org/10.1016/j.febslet.2007.10.048
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author Lee, Cheng-Chung
Kuo, Chih-Jung
Hsu, Min-Feng
Liang, Po-Huang
Fang, Jim-Min
Shie, Jiun-Jie
Wang, Andrew H.-J.
author_facet Lee, Cheng-Chung
Kuo, Chih-Jung
Hsu, Min-Feng
Liang, Po-Huang
Fang, Jim-Min
Shie, Jiun-Jie
Wang, Andrew H.-J.
author_sort Lee, Cheng-Chung
collection PubMed
description Five active metal‐conjugated inhibitors (PMA, TDT, EPDTC, JMF1586 and JMF1600) bound with the 3C‐like protease of severe acute respiratory syndrome (SARS)‐associated coronavirus were analyzed crystallographically. The complex structures reveal two major inhibition modes: Hg(2+)‐PMA is coordinated to C(44), M(49) and Y(54) with a square planar geometry at the S3 pocket, whereas each Zn(2+) of the four zinc‐inhibitors is tetrahedrally coordinated to the H(41)–C(145) catalytic dyad. For anti‐SARS drug design, this Zn(2+)‐centered coordination pattern would serve as a starting platform for inhibitor optimization.
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spelling pubmed-70942722020-03-25 Structural basis of mercury‐ and zinc‐conjugated complexes as SARS‐CoV 3C‐like protease inhibitors Lee, Cheng-Chung Kuo, Chih-Jung Hsu, Min-Feng Liang, Po-Huang Fang, Jim-Min Shie, Jiun-Jie Wang, Andrew H.-J. FEBS Lett Short Communications Five active metal‐conjugated inhibitors (PMA, TDT, EPDTC, JMF1586 and JMF1600) bound with the 3C‐like protease of severe acute respiratory syndrome (SARS)‐associated coronavirus were analyzed crystallographically. The complex structures reveal two major inhibition modes: Hg(2+)‐PMA is coordinated to C(44), M(49) and Y(54) with a square planar geometry at the S3 pocket, whereas each Zn(2+) of the four zinc‐inhibitors is tetrahedrally coordinated to the H(41)–C(145) catalytic dyad. For anti‐SARS drug design, this Zn(2+)‐centered coordination pattern would serve as a starting platform for inhibitor optimization. John Wiley and Sons Inc. 2007-11-27 2007-11-05 /pmc/articles/PMC7094272/ /pubmed/17981158 http://dx.doi.org/10.1016/j.febslet.2007.10.048 Text en FEBS Letters 581 (2007) 1873-3468 © 2015 Federation of European Biochemical Societies This article is being made freely available through PubMed Central as part of the COVID-19 public health emergency response. It can be used for unrestricted research re-use and analysis in any form or by any means with acknowledgement of the original source, for the duration of the public health emergency.
spellingShingle Short Communications
Lee, Cheng-Chung
Kuo, Chih-Jung
Hsu, Min-Feng
Liang, Po-Huang
Fang, Jim-Min
Shie, Jiun-Jie
Wang, Andrew H.-J.
Structural basis of mercury‐ and zinc‐conjugated complexes as SARS‐CoV 3C‐like protease inhibitors
title Structural basis of mercury‐ and zinc‐conjugated complexes as SARS‐CoV 3C‐like protease inhibitors
title_full Structural basis of mercury‐ and zinc‐conjugated complexes as SARS‐CoV 3C‐like protease inhibitors
title_fullStr Structural basis of mercury‐ and zinc‐conjugated complexes as SARS‐CoV 3C‐like protease inhibitors
title_full_unstemmed Structural basis of mercury‐ and zinc‐conjugated complexes as SARS‐CoV 3C‐like protease inhibitors
title_short Structural basis of mercury‐ and zinc‐conjugated complexes as SARS‐CoV 3C‐like protease inhibitors
title_sort structural basis of mercury‐ and zinc‐conjugated complexes as sars‐cov 3c‐like protease inhibitors
topic Short Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7094272/
https://www.ncbi.nlm.nih.gov/pubmed/17981158
http://dx.doi.org/10.1016/j.febslet.2007.10.048
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