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dc.contributor.author하정미-
dc.date.accessioned2018-09-28T02:39:00Z-
dc.date.available2018-09-28T02:39:00Z-
dc.date.issued2009-08-
dc.identifier.citationMEDICINAL CHEMISTRY RESEARCH, v. 18, No. 2, Page. 127-142en_US
dc.identifier.issn1054-2523-
dc.identifier.urihttps://link.springer.com/article/10.1007/s00044-008-9113-4-
dc.identifier.urihttps://repository.hanyang.ac.kr/handle/20.500.11754/76239-
dc.description.abstractThe growth and metastasis of solid tumors are dependent on angiogenesis. The vascular endothelial growth factor (VEGF) is of particular interest since it is essential for angiogenesis. The development of novel inhibitors of VEGF receptor type 2 (VEGFR-2) is important. Quantitative structure-activity relationship (QSAR) studies were performed to understand the structural factors affecting inhibitory potency of 4-aryl-5-cyano-2-aminopyrimidines. Pharmacophore models indicate that the importance of steric and hydrogen bond acceptor groups. The best-fitted pharmacophore-based alignment was used for comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA). Both CoMFA (q(2) = 0.62, r(2) = 0.87, and r(predictive)(2) = 0.7) and CoMSIA (q(2) = 0.54, r(2) = 0.86, and r(predictive)(2) = 0.61) gave reasonable results. Factors such as steric bulkiness, electrostatic effect, and hydrogen bond acceptor were found to be important for the inhibitory activity. It is suggested that negatively charged, bulky H-bond accepting groups around the piperazine nitrogen would enhance inhibition against VEGFR-2.en_US
dc.description.sponsorshipThis work was supported by the Korea Science and Engineering Foundation (KOSEF) grant funded by the Korea government (MOST) through the Research Center for Resistant Cells (R13-2003-009). We thank Mr. Hwan Won Chung for help.en_US
dc.language.isoen_USen_US
dc.publisherBIRKHAUSER BOSTON INCen_US
dc.subjectCoMFAen_US
dc.subjectCoMSIAen_US
dc.subjectDrug designen_US
dc.subjectPharmacophoreen_US
dc.subjectVEGFRen_US
dc.subject3D-QSARen_US
dc.titlePharmacophore based 3D-QSAR study of VEGFR-2 inhibitorsen_US
dc.typeArticleen_US
dc.relation.volume18-
dc.identifier.doi10.1007/s00044-008-9113-4-
dc.relation.page127-142-
dc.relation.journalMEDICINAL CHEMISTRY RESEARCH-
dc.contributor.googleauthorNeaz, M. M.-
dc.contributor.googleauthorPasha, F. A.-
dc.contributor.googleauthorMuddassar, M.-
dc.contributor.googleauthorLee, So Ha-
dc.contributor.googleauthorSim, Taebo-
dc.contributor.googleauthorHah, Jung-Mi-
dc.contributor.googleauthorCho, Seung Joo-
dc.relation.code2009206601-
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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