Detailed Information

Cited 0 time in webofscience Cited 22 time in scopus
Metadata Downloads

1,3-Diphenyl-1H-pyrazole derivatives as a new series of potent PPAR gamma partial agonists

Authors
Choi, JiwonPark, YunsunLee, Hui SunYang, YoungYoon, Sukjoon
Issue Date
Dec-2010
Publisher
PERGAMON-ELSEVIER SCIENCE LTD
Keywords
Pyrazole; Peroxisome proliferators-activated receptor (PPAR); Comparative molecular field analysis (CoMFA); Computer-aided drug discovery; Molecular docking; Binding mode analysis
Citation
BIOORGANIC & MEDICINAL CHEMISTRY, v.18, no.23, pp.8315 - 8323
Journal Title
BIOORGANIC & MEDICINAL CHEMISTRY
Volume
18
Number
23
Start Page
8315
End Page
8323
URI
https://scholarworks.sookmyung.ac.kr/handle/2020.sw.sookmyung/13063
DOI
10.1016/j.bmc.2010.09.068
ISSN
0968-0896
Abstract
A new series of PPAR gamma partial agonists, 1,3-diphenyl-1H-pyrazole derivatives, were identified using an improved virtual screening scheme combining ligand-centric and receptor-centric methods. An in vitro assay confirmed the nanomolar binding affinity of 1,3-diphenyl-1H-pyrazole derivatives such as SP3415. We also characterized the competitive antagonism of SP3415 against rosiglitazone at micromolar concentrations. They showed a PPAR gamma partial agonistic activity similar to that of a known PPAR gamma drug, pioglitazone, in a cell-based transactivation assay. Furthermore, the structure-activity relationships of the pyrazole derivatives were investigated through comparative molecular field analysis and binding mode analysis, which provided new insight concerning their partial agonistic effect on PPAR gamma. (C) 2010 Elsevier Ltd. All rights reserved.
Files in This Item
Go to Link
Appears in
Collections
이과대학 > 생명시스템학부 > 1. Journal Articles

qrcode

Items in ScholarWorks are protected by copyright, with all rights reserved, unless otherwise indicated.

Related Researcher

Researcher Yang, Young photo

Yang, Young
이과대학 (생명시스템학부)
Read more

Altmetrics

Total Views & Downloads

BROWSE