A designed P1 cysteine mimetic for covalent and non-covalent inhibitors of HCVNS3 protease
A designed P1 cysteine mimetic for covalent and non-covalent inhibitors of HCVNS3 protease
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DOI：
10.1016/s0960-894x(01)00842-3
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发表时间：
2002-02-25
影响因子：
2.7
通讯作者：
Matassa, VG
中科院分区：
文献类型：
--
作者：
Narjes, F;Koehler, KF;Matassa, VG
二氟甲基基团是通过计算化学方法设计的，作为丙型肝炎病毒 NS3 蛋白酶抑制剂的经典 P-1 半胱氨酸硫醇的模拟物。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; 和 8 K-i* 10 pM) 的开发。 (C) 2002 Elsevier Science Ltd. 保留所有权利。
The difluoromethyl group was designed by computational chemistry methods as a mimetic of the canonical P-1 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). (C) 2002 Elsevier Science Ltd. All rights reserved.