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dc.contributor.authorKim, Youngjae-
dc.contributor.authorPark, Hyeri-
dc.contributor.authorLee, Jeongeun-
dc.contributor.authorTae, Jinsung-
dc.contributor.authorKim, Hak Joong-
dc.contributor.authorMin, Sun-Joon-
dc.contributor.authorRhim, Hyewhon-
dc.contributor.authorChoo, Hyunah-
dc.date.accessioned2024-01-20T03:01:33Z-
dc.date.available2024-01-20T03:01:33Z-
dc.date.created2021-09-04-
dc.date.issued2016-11-10-
dc.identifier.issn0223-5234-
dc.identifier.urihttps://pubs.kist.re.kr/handle/201004/123444-
dc.description.abstract5-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.languageEnglish-
dc.publisherELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER-
dc.subjectHIGH-AFFINITY-
dc.subjectBINDING-
dc.subjectANTAGONISTS-
dc.subjectLIGANDS-
dc.subjectPHARMACOPHORE-
dc.subjectDERIVATIVES-
dc.subjectINHIBITORS-
dc.subjectDISCOVERY-
dc.subjectANXIETY-
dc.subjectCLONING-
dc.title5-HT7 receptor modulators: Amino groups attached to biphenyl scaffold determine functional activity-
dc.typeArticle-
dc.identifier.doi10.1016/j.ejmech.2016.07.029-
dc.description.journalClass1-
dc.identifier.bibliographicCitationEUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, v.123, pp.180 - 190-
dc.citation.titleEUROPEAN JOURNAL OF MEDICINAL CHEMISTRY-
dc.citation.volume123-
dc.citation.startPage180-
dc.citation.endPage190-
dc.description.journalRegisteredClassscie-
dc.description.journalRegisteredClassscopus-
dc.identifier.wosid000385319000017-
dc.identifier.scopusid2-s2.0-84979650055-
dc.relation.journalWebOfScienceCategoryChemistry, Medicinal-
dc.relation.journalResearchAreaPharmacology & Pharmacy-
dc.type.docTypeArticle-
dc.subject.keywordPlusHIGH-AFFINITY-
dc.subject.keywordPlusBINDING-
dc.subject.keywordPlusANTAGONISTS-
dc.subject.keywordPlusLIGANDS-
dc.subject.keywordPlusPHARMACOPHORE-
dc.subject.keywordPlusDERIVATIVES-
dc.subject.keywordPlusINHIBITORS-
dc.subject.keywordPlusDISCOVERY-
dc.subject.keywordPlusANXIETY-
dc.subject.keywordPlusCLONING-
dc.subject.keywordAuthorSerotonin-
dc.subject.keywordAuthor5-HT7 receptor-
dc.subject.keywordAuthorAgonist-
dc.subject.keywordAuthorAntagonist-
dc.subject.keywordAuthorMolecular docking-
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