一种用于丙型肝炎病毒NS3蛋白酶共价和非共价抑制剂的设计P1半胱氨酸模拟物。
A designed P1 cysteine mimetic for covalent and non-covalent inhibitors of HCV NS3 protease.
作者信息
Narjes Frank, Koehler Konrad F, Koch Uwe, Gerlach Benjamin, Colarusso Stefania, Steinkühler Christian, Brunetti Mirko, Altamura Sergio, De Francesco Raffaele, Matassa Victor G
机构信息
Department of Chemistry, IRBM, MRL Rome, Via Pontina Km 30.600, Pomezia, 00040, Rome, Italy.
出版信息
Bioorg Med Chem Lett. 2002 Feb 25;12(4):701-4. doi: 10.1016/s0960-894x(01)00842-3.
The difluoromethyl group was designed by computational chemistry methods as a mimetic of the canonical P1 cysteine thiol for inhibitors of the hepatitis C virus NS3 protease. This modification led to the development of competitive, non-covalent inhibitor 4 (K(i) 30 nM) and reversible covalent inhibitors (6, K(i) 0.5 nM; and 8 K*(i) 10 pM).
通过计算化学方法设计了二氟甲基，作为丙型肝炎病毒NS3蛋白酶抑制剂的典型P1半胱氨酸硫醇模拟物。这种修饰导致了竞争性非共价抑制剂4（K(i) 30 nM）和可逆共价抑制剂（6，K(i) 0.5 nM；以及8，K*(i) 10 pM）的开发。
Zotero 插件