@article{5f937790e5b344ff83ab78d5c92a2036,
title = "Structure-activity relationships and molecular modeling of the N-(3-pivaloyloxy-2-benzylpropyl)-N′-[4-(methylsulfonylamino)benzyl] thiourea template for TRPV1 antagonism",
abstract = "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.",
keywords = "Capsaicin, Molecular modeling, Resiniferatoxin, TRPV1 antagonist, Vanilloid receptor 1",
author = "Bhondwe, {Rahul S.} and Kang, {Dong Wook} and Kim, {Myeong Seop} and Kim, {Ho Shin} and Park, {Seul Gi} and Karam Son and Sun Choi and {Lang Kuhs}, {Krystle A.} and Pavlyukovets, {Vladimir A.} and Pearce, {Larry V.} and Blumberg, {Peter M.} and Jeewoo Lee",
note = "Funding Information: This research was supported by Grants from the National Research Foundation of Korea (NRF) ( R11-2007-107-02001-0 ), Grants from the NLRL program (2011-0028885), Brain Research Center of the 21st Century Frontier Research Program (2011-K000289) funded by MEST and NRF, the Ewha Global Top 5 Grant 2011 of Ewha Womans University, and was supported in part by the Intramural Research Program of the National Institutes of Health, Center for Cancer Research, National Cancer Institute (Project Z1A BC 005270). ",
year = "2012",
month = jun,
day = "1",
doi = "10.1016/j.bmcl.2012.04.034",
language = "English",
volume = "22",
pages = "3656--3660",
journal = "Bioorganic and Medicinal Chemistry Letters",
issn = "0960-894X",
publisher = "Elsevier Ltd.",
number = "11",
}