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분자활성 촉매반응 연구단
분자활성 촉매반응 연구단
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Discovery of EGF Receptor Inhibitors That Are Selective for the d746-750/T790M/C797S Mutant through Structure-Based de Novo Design

DC Field Value Language
dc.contributor.authorPark H.-
dc.contributor.authorHoi-Yun Jung-
dc.contributor.authorShinmee Mah-
dc.contributor.authorSungwoo Hong-
dc.date.available2017-10-31T05:30:40Z-
dc.date.created2017-07-19-
dc.date.issued2017-06-
dc.identifier.issn1433-7851-
dc.identifier.urihttps://pr.ibs.re.kr/handle/8788114/3956-
dc.description.abstractNext-generation epidermal growth factor receptor (EGFR) inhibitors against the d746-750/T790M/C797S mutation were discovered through two-track virtual screening and de novo design. A number of nanomolar inhibitors were identified using 2-aryl-4-aminoquinazoline as the molecular core and the modified binding energy function involving a proper dehydration term, which provides important structural insight into the key principles for high inhibitory activities against the d746-750/T790M/C797S mutant. Furthermore, some of these EGFR inhibitors showed a greater than 1000-fold selectivity for the d746-750/T790M/C797S mutant over the wild type, as well as nanomolar activity against the mutant. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinhei-
dc.languageENG-
dc.publisherWILEY-V C H VERLAG GMBH-
dc.titleDiscovery of EGF Receptor Inhibitors That Are Selective for the d746-750/T790M/C797S Mutant through Structure-Based de Novo Design-
dc.typeArticle-
dc.type.rimsA-
dc.identifier.wosid000403017000055-
dc.identifier.scopusid2-s2.0-85020466704-
dc.description.wostc8-
dc.date.tcdate2018-10-01-
dc.date.scptcdate2018-10-01-
dc.subject.keyworddrug discovery-
dc.subject.keywordEGFR-
dc.subject.keywordinhibitors-
dc.subject.keywordkinases-
dc.subject.keywordstructure-based design-
dc.contributor.affiliatedAuthorHoi-Yun Jung-
dc.contributor.affiliatedAuthorSungwoo Hong-
dc.identifier.bibliographicCitationANGEWANDTE CHEMIE-INTERNATIONAL EDITION, v.56, no.26, pp.7634 - 7638-
dc.description.scptc9-
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Center for Catalytic Hydrocarbon Functionalizations(분자활성 촉매반응 연구단) > Journal Papers (저널논문)
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