DC Field | Value | Language |
---|---|---|
dc.contributor.author | Park, Hwangseo | ko |
dc.contributor.author | Jung, Hoi Yun | ko |
dc.contributor.author | Mah, Shinmee | ko |
dc.contributor.author | Hong, Sungwoo | ko |
dc.date.accessioned | 2017-07-04T02:46:59Z | - |
dc.date.available | 2017-07-04T02:46:59Z | - |
dc.date.created | 2017-06-26 | - |
dc.date.created | 2017-06-26 | - |
dc.date.issued | 2017-06 | - |
dc.identifier.citation | ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, v.56, no.26, pp.7634 - 7638 | - |
dc.identifier.issn | 1433-7851 | - |
dc.identifier.uri | http://hdl.handle.net/10203/224719 | - |
dc.description.abstract | Next-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. | - |
dc.language | English | - |
dc.publisher | WILEY-V C H VERLAG GMBH | - |
dc.subject | CELL LUNG-CANCER | - |
dc.subject | 3RD-GENERATION INHIBITORS | - |
dc.subject | MEDIATES RESISTANCE | - |
dc.subject | KINASE INHIBITORS | - |
dc.subject | T790M MUTATION | - |
dc.subject | THERAPY | - |
dc.subject | DOMAIN | - |
dc.title | Discovery of EGF Receptor Inhibitors That Are Selective for the d746-750/T790M/C797S Mutant through Structure-Based de Novo Design | - |
dc.type | Article | - |
dc.identifier.wosid | 000403017000055 | - |
dc.identifier.scopusid | 2-s2.0-85020466704 | - |
dc.type.rims | ART | - |
dc.citation.volume | 56 | - |
dc.citation.issue | 26 | - |
dc.citation.beginningpage | 7634 | - |
dc.citation.endingpage | 7638 | - |
dc.citation.publicationname | ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | - |
dc.identifier.doi | 10.1002/anie.201703389 | - |
dc.contributor.localauthor | Hong, Sungwoo | - |
dc.contributor.nonIdAuthor | Park, Hwangseo | - |
dc.description.isOpenAccess | N | - |
dc.type.journalArticle | Article | - |
dc.subject.keywordAuthor | EGFR | - |
dc.subject.keywordAuthor | inhibitors | - |
dc.subject.keywordAuthor | kinases | - |
dc.subject.keywordAuthor | drug discovery | - |
dc.subject.keywordAuthor | structure-based design | - |
dc.subject.keywordPlus | CELL LUNG-CANCER | - |
dc.subject.keywordPlus | 3RD-GENERATION INHIBITORS | - |
dc.subject.keywordPlus | MEDIATES RESISTANCE | - |
dc.subject.keywordPlus | KINASE INHIBITORS | - |
dc.subject.keywordPlus | T790M MUTATION | - |
dc.subject.keywordPlus | THERAPY | - |
dc.subject.keywordPlus | DOMAIN | - |
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