【文章名】Structure-activity relationships and molecular modeling of the N-(3-pivaloyloxy-2-benzylpropyl)-N '-[4-(methylsulfonylamino)benzyl] thiourea template for TRPV1 antagonism
Structure-activity relationships and molecular modeling of the N-(3-pivaloyloxy-2-benzylpropyl)-N '-[4-(methylsulfonylamino)benzyl] thiourea template for TRPV1 antagonism
作者
Bhondwe, RS; Kang, DW; Kim, MS; Kim, HS; Park, SG; Son, K; Choi, S; Kuhs, KAL; Pavlyukovets, VA; Pearce, LV; Blumberg, PM; Lee, J
[摘要]：The structure-activity relationships of N-(3-acyloxy-2-benzylpropyl)-N'-4-[(methylsulfonylamino) benzyl] thioureas, which represent simplified RTX-based vanilloids, were investigated by varying the distances between the four principal pharmacophores and assessing binding and antagonistic activity on rTRPV1. The analysis indicated that a 3-pivaloyloxy-2-benzylpropyl C-region conferred the best potency in binding affinity and antagonism. The molecular modeling of this best template with the tetrameric homology model of rTRPV1 was performed to identify its binding interactions with the receptor. (C) 2012 Elsevier Ltd. All rights reserved.
