Structure-Based Design and Synthesis of Highly Potent SARS-CoV 3CL Protease Inhibitors
Resource
ChemBioChem, 8(14), 1654-1657
Journal
ChemBioChem
Pages
1654-1657
Date Issued
2007
Date
2007
Author(s)
Shao, Yi-Ming
Yang, Wen-Bin
Peng, Hung-Pin
Hsu, Min-Feng
Tsai, Keng-Chang
Kuo, Tun-Hsun
Wang, Andrew H.-J.
Liang, Po-Huang
Lin, Chun-Hung
Yang, An-Suei
Wong, Chi-Huey
Abstract
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 C2-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 μM). We believe that this approach has provided a platform for further lead optimization. (Chemical Equation Presented). © 2007 Wiley-VCH Verlag GmbH & Co. KGaA.
SDGs
File(s)![Thumbnail Image]()
Loading...
Name
47.pdf
Size
23.23 KB
Format
Adobe PDF
Checksum
(MD5):8eb6ec22f94252c58e23148f3bbdb921