Full metadata record
DC Field | Value | Language |
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dc.contributor.author | Kim, Youngjae | - |
dc.contributor.author | Park, Hyeri | - |
dc.contributor.author | Lee, Jeongeun | - |
dc.contributor.author | Tae, Jinsung | - |
dc.contributor.author | Kim, Hak Joong | - |
dc.contributor.author | Min, Sun-Joon | - |
dc.contributor.author | Rhim, Hyewhon | - |
dc.contributor.author | Choo, Hyunah | - |
dc.date.accessioned | 2024-01-20T03:01:33Z | - |
dc.date.available | 2024-01-20T03:01:33Z | - |
dc.date.created | 2021-09-04 | - |
dc.date.issued | 2016-11-10 | - |
dc.identifier.issn | 0223-5234 | - |
dc.identifier.uri | https://pubs.kist.re.kr/handle/201004/123444 | - |
dc.description.abstract | 5-HT7 receptor (5-HT7R) agonists and antagonists have been reported to be used for treatment of neuropathic pain and depression, respectively. In this study, as a novel scaffold for 5-HT7R modulators, we designed and prepared a series of biphenyl-3-yl-methanamine derivatives with various amino groups. Evaluation of functional activities as well as binding affinities of the title compounds identified partial agonists (EC50 = 0.55-3.2 mu M) and full antagonists (IC50 = 5.57-23.1 mu M) depending on the amino substituents. Molecular docking study suggested that the ligand-based switch in functional activity from agonist to antagonist results from the size of the amino groups and thereby different binding modes to 5-HT7R. In particular, interaction of the ligand with Arg367 of 5-HT7R is shown to differentiate agonists and antagonists. In the pharmacophore model study, two distinct pharmacophore models can tell whether a ligand is an agonist or an antagonist. Taken together, this study provides valuable information for designing novel compounds with selective agonistic or antagonistic properties against 5-HT7R. (C) 2016 Elsevier Masson SAS. All rights reserved. | - |
dc.language | English | - |
dc.publisher | ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER | - |
dc.subject | HIGH-AFFINITY | - |
dc.subject | BINDING | - |
dc.subject | ANTAGONISTS | - |
dc.subject | LIGANDS | - |
dc.subject | PHARMACOPHORE | - |
dc.subject | DERIVATIVES | - |
dc.subject | INHIBITORS | - |
dc.subject | DISCOVERY | - |
dc.subject | ANXIETY | - |
dc.subject | CLONING | - |
dc.title | 5-HT7 receptor modulators: Amino groups attached to biphenyl scaffold determine functional activity | - |
dc.type | Article | - |
dc.identifier.doi | 10.1016/j.ejmech.2016.07.029 | - |
dc.description.journalClass | 1 | - |
dc.identifier.bibliographicCitation | EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, v.123, pp.180 - 190 | - |
dc.citation.title | EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY | - |
dc.citation.volume | 123 | - |
dc.citation.startPage | 180 | - |
dc.citation.endPage | 190 | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.identifier.wosid | 000385319000017 | - |
dc.identifier.scopusid | 2-s2.0-84979650055 | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Medicinal | - |
dc.relation.journalResearchArea | Pharmacology & Pharmacy | - |
dc.type.docType | Article | - |
dc.subject.keywordPlus | HIGH-AFFINITY | - |
dc.subject.keywordPlus | BINDING | - |
dc.subject.keywordPlus | ANTAGONISTS | - |
dc.subject.keywordPlus | LIGANDS | - |
dc.subject.keywordPlus | PHARMACOPHORE | - |
dc.subject.keywordPlus | DERIVATIVES | - |
dc.subject.keywordPlus | INHIBITORS | - |
dc.subject.keywordPlus | DISCOVERY | - |
dc.subject.keywordPlus | ANXIETY | - |
dc.subject.keywordPlus | CLONING | - |
dc.subject.keywordAuthor | Serotonin | - |
dc.subject.keywordAuthor | 5-HT7 receptor | - |
dc.subject.keywordAuthor | Agonist | - |
dc.subject.keywordAuthor | Antagonist | - |
dc.subject.keywordAuthor | Molecular docking | - |
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