Identification of (beta-carboxyethyl)-rhodanine derivatives exhibiting peroxisome proliferator-activated receptor gamma activity
DC Field | Value | Language |
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dc.contributor.author | Choi, Jiwon | - |
dc.contributor.author | Ko, Yoonae | - |
dc.contributor.author | Lee, Hui Sun | - |
dc.contributor.author | Park, Yun Sun | - |
dc.contributor.author | Yang, Young | - |
dc.contributor.author | Yoon, Sukjoon | - |
dc.date.available | 2021-02-22T13:49:04Z | - |
dc.date.issued | 2010-01 | - |
dc.identifier.issn | 0223-5234 | - |
dc.identifier.issn | 1768-3254 | - |
dc.identifier.uri | https://scholarworks.sookmyung.ac.kr/handle/2020.sw.sookmyung/13297 | - |
dc.description.abstract | We applied an improved virtual screening scheme combining ligand-centric and receptor-centric methods for the identification of a new series of PPAR gamma agonists known as (beta-carboxyethyl)-rhodanine derivatives which include a thiazolidin-based core structure, 2-thioxo-thiazolidine-4-one. An in vitro assay confirmed the nanomolar binding affinity in one of the (beta-carboxyethyl)-rhodanine derivatives, SP1818. It showed a PPAR gamma 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 rhodanine derivatives were investigated through comparative molecular field analysis. We also characterized the inconsistency between the in vitro binding affinity and cell-based transactivation ability by using a set of property-based molecular descriptors. The binding mode analysis provided new insight concerning their agonistic effect on PPAR gamma. (C) 2009 Elsevier Masson SAS. All rights reserved. | - |
dc.format.extent | 10 | - |
dc.language | 영어 | - |
dc.language.iso | ENG | - |
dc.publisher | ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER | - |
dc.title | Identification of (beta-carboxyethyl)-rhodanine derivatives exhibiting peroxisome proliferator-activated receptor gamma activity | - |
dc.type | Article | - |
dc.publisher.location | 프랑스 | - |
dc.identifier.doi | 10.1016/j.ejmech.2009.09.042 | - |
dc.identifier.scopusid | 2-s2.0-72149087695 | - |
dc.identifier.wosid | 000274203000025 | - |
dc.identifier.bibliographicCitation | EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, v.45, no.1, pp 193 - 202 | - |
dc.citation.title | EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY | - |
dc.citation.volume | 45 | - |
dc.citation.number | 1 | - |
dc.citation.startPage | 193 | - |
dc.citation.endPage | 202 | - |
dc.type.docType | Article | - |
dc.description.isOpenAccess | N | - |
dc.description.journalRegisteredClass | sci | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Pharmacology & Pharmacy | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Medicinal | - |
dc.subject.keywordPlus | MOLECULAR-FIELD ANALYSIS | - |
dc.subject.keywordPlus | RHODANINE DERIVATIVES | - |
dc.subject.keywordPlus | LIGAND-BINDING | - |
dc.subject.keywordPlus | PPAR-GAMMA | - |
dc.subject.keywordPlus | METABOLIC DISEASE | - |
dc.subject.keywordPlus | CANCER CELLS | - |
dc.subject.keywordPlus | COMFA | - |
dc.subject.keywordPlus | INHIBITORS | - |
dc.subject.keywordPlus | AGONISTS | - |
dc.subject.keywordPlus | ALPHA | - |
dc.subject.keywordAuthor | Rhodanine | - |
dc.subject.keywordAuthor | Peroxisome proliferators-activated receptor (PPAR) | - |
dc.subject.keywordAuthor | Thiazolidinedione (TZD) | - |
dc.subject.keywordAuthor | Computer-aided drug discovery, Molecular docking, Binding mode analysis | - |
dc.identifier.url | https://www.sciencedirect.com/science/article/abs/pii/S0223523409004930?via%3Dihub | - |
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