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dc.contributor.author하정미-
dc.date.accessioned2018-06-14T05:37:18Z-
dc.date.available2018-06-14T05:37:18Z-
dc.date.issued2017-05-
dc.identifier.citationBIOORGANIC & MEDICINAL CHEMISTRY LETTERS, v. 27, No. 10, Page. 2139-2143en_US
dc.identifier.issn0960-894X-
dc.identifier.issn1464-3405-
dc.identifier.urihttps://www.sciencedirect.com/science/article/pii/S0960894X17303074-
dc.identifier.urihttp://repository.hanyang.ac.kr/handle/20.500.11754/72068-
dc.description.abstractJNK3 is an emerging target for neurodegenerative diseases including AD and PD, with histological selectivity. Specifically, in AD, JNK3 is the main protein kinase for APP phosphorylation, which is an important mechanism for A beta processing, and a biomarker of Alzheimer's disease. Therefore, targeting JNK3 is a reasonable strategy for drug discovery in neurodegenerative diseases. In order to find a novel scaffold for JNK3 inhibitors, we performed 3D-QSAR modeling studies with two different JNK3 inhibitor series. The CoMFA model was obtained with a q(2) value of 0.806 and an r(2) value of 0.850. Based on CoMFA and CoMSIA models, rational design was conducted and led to a novel scaffold, N-(thiophen-2-yl)-8H-pyrazolo [1,5-a]pyrido [1,2-c]pyrimidine-10-carboxamide. (C) 2017 Elsevier Ltd. All rights reserved.en_US
dc.description.sponsorshipThis work was supported by the research fund of Hanyang University, South Korea (HY-2013-N).en_US
dc.language.isoen_USen_US
dc.publisherPERGAMON-ELSEVIER SCIENCE LTDen_US
dc.subjectJNK3en_US
dc.subject3D-QSARen_US
dc.subjectNeurodegenerative diseaseen_US
dc.subjectALZHEIMERS-DISEASEen_US
dc.subjectKINASEen_US
dc.titleNovel scaffold evolution through combinatorial 3D-QSAR model studies of two types of JNK3 inhibitorsen_US
dc.typeArticleen_US
dc.relation.no10-
dc.relation.volume27-
dc.identifier.doi10.1016/j.bmcl.2017.03.063-
dc.relation.page2139-2143-
dc.relation.journalBIOORGANIC & MEDICINAL CHEMISTRY LETTERS-
dc.contributor.googleauthorJung, Hoyong-
dc.contributor.googleauthorAman, Waciar-
dc.contributor.googleauthorHah, Jung-Mi-
dc.relation.code2017000739-
dc.sector.campusE-
dc.sector.daehakCOLLEGE OF PHARMACY[E]-
dc.sector.departmentDEPARTMENT OF PHARMACY-
dc.identifier.pidjhah-
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COLLEGE OF PHARMACY[E](약학대학) > PHARMACY(약학과) > Articles
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