Structure‐Based Design and Synthesis of Highly Potent SARS‐CoV 3CL Protease Inhibitors | Zendy

Shao YiMing | Zendy; Yang WenBin | Zendy; Peng HungPin | Zendy; Hsu MinFeng | Zendy; Tsai KengChang | Zendy; Kuo TunHsun | Zendy; Wang Andrew H.J. | Zendy; Liang PoHuang | Zendy; Lin ChunHung | Zendy; Yang AnSuei | Zendy; Wong ChiHuey | Zendy

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Structure‐Based Design and Synthesis of Highly Potent SARS‐CoV 3CL Protease Inhibitors

Author(s) -

Shao YiMing,

Yang WenBin,

Peng HungPin,

Hsu MinFeng,

Tsai KengChang,

Kuo TunHsun,

Wang Andrew H.J.,

Liang PoHuang,

Lin ChunHung,

Yang AnSuei,

Wong ChiHuey

Publication year - 2007

Publication title -

chembiochem

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.05

H-Index - 126

eISSN - 1439-7633

pISSN - 1439-4227

DOI - 10.1002/cbic.200700254

Subject(s) - protease , covid-19 , computer science , order (exchange) , constant (computer programming) , computational biology , chemistry , combinatorial chemistry , enzyme , biochemistry , biology , virology , medicine , disease , pathology , outbreak , infectious disease (medical specialty) , finance , programming language , economics

In a successful example of lead optimization by computer modeling prediction , computational technology was used to optimize a lead inhibitor (TL‐3) of the SARS‐CoV 3CL protease. A novel C 2 ‐symmetric diol ( 1 ) was then designed and synthesized, and displayed higher affinity than the original lead compound by one order of magnitude in its inhibition constant (0.6→0.073 μ M ). We believe that this approach has provided a platform for further lead optimization.

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