Journal
BIOORGANIC & MEDICINAL CHEMISTRY
Volume 20, Issue 1, Pages 215-224Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.bmc.2011.11.008
Keywords
TRPV1 antagonists; Analgesic; Molecular modeling; Capsaicin; Resiniferatoxin
Funding
- Digital-biotech
- National Research Foundation of Korea (NRF) [R11-2007-107-02001-0]
- National Core Research Center (NCRC) of MEST [2011-0006244]
- NRF through Center for Cell Signaling & Drug Discovery Research at Ewha Womans University
- National Institutes of Health, Center for Cancer Research, National Cancer Institute [Z1A BC 005270]
- NATIONAL CANCER INSTITUTE [Z01BC005270, ZIABC005270] Funding Source: NIH RePORTER
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Structure-activity relationships for the A-region in a series of N-4-t-butylbenzyl 2-(4-methylsulfonylaminophenyl) propanamides as TRPV1 antagonists have been investigated. Among them, the 3-fluoro analogue 54 showed high binding affinity and potent antagonism for both rTRPV1 and hTRPV1 in CHO cells. Its stereospecific activity was demonstrated with marked selectivity for the (S)-configuration (54S versus 54R). A docking study of 54S with our hTRPV1 homology model highlighted crucial hydrogen bonds between the ligand and the receptor contributing to its potency. (C) 2011 Elsevier Ltd. All rights reserved.
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