| Literature DB >> 24268549 |
Guo-Chun Zhou1, Zhibing Weng, Xiaoxia Shao, Fang Liu, Xin Nie, Jinsong Liu, Decai Wang, Chunguang Wang, Kai Guo.
Abstract
A series of methionine-proline dipeptide derivatives and their analogues were designed, synthesized and assayed against the serotype 2 dengue virus NS2B-NS3 protease, and methionine-proline anilides 1 and 2 were found to be the most active DENV 2 NS2B-NS3 competitive inhibitors with Ki values of 4.9 and 10.5 μM. The structure and activity relationship and the molecular docking revealed that L-proline, L-methionine and p-nitroaniline in 1 and 2 are the important characters in blocking the active site of NS2B-NS3 protease. Our current results suggest that the title dipeptidic scaffold represents a promising structural core to discover a new class of active NS2B-NS3 competitive inhibitors.Entities:
Keywords: 4-(N,N′-dimethyl)-aminopyridine; 4-Nitroaniline; DCC; DCM; DENV; DMAP; Dengue virus NS2B-NS3 protease; EtOAc; EtOH; HQRJJHXKCFABSI-UONOGXRCSA-N; K(i); Methionine; Methionine–proline anilides; NS2B-NS3; Proline; SAR; TFA; dengue virus; dichloromethylene; dicyclohexylcarbodiimide; ethyl acetate; ethyl alcohol; inhibition constant; nonstructural protein 2B and 3; structure and activity relationship; trifluoroacetic acid
Mesh：
Substances：
Year: 2013 PMID： 24268549 DOI： 10.1016/j.bmcl.2013.10.071
Source DB: PubMed Journal: Bioorg Med Chem Lett ISSN： 0960-894X Impact factor: 2.823