DC Field | Value | Language |
---|---|---|
dc.contributor.author | Park, H | ko |
dc.contributor.author | Choi, H | ko |
dc.contributor.author | Hong, S | ko |
dc.contributor.author | Hong, Sungwoo | ko |
dc.date.accessioned | 2013-03-11T01:11:07Z | - |
dc.date.available | 2013-03-11T01:11:07Z | - |
dc.date.created | 2012-02-06 | - |
dc.date.created | 2012-02-06 | - |
dc.date.issued | 2011-10 | - |
dc.identifier.citation | BIOORGANIC MEDICINAL CHEMISTRY LETTERS, v.21, no.19, pp.5753 - 5756 | - |
dc.identifier.issn | 0960-894X | - |
dc.identifier.uri | http://hdl.handle.net/10203/97881 | - |
dc.description.abstract | VRAF murine sarcoma viral oncogene homologue B1 (BRAF) kinase has proved to be a promising target for the development of therapeutics for the treatment of a variety of human cancers. Here, we report the first example of a successful application of the structure-based virtual screening to identify novel BRAF inhibitors. These inhibitors have desirable physicochemical properties as a drug candidate, and compound 1 revealed a submicromolar binding affinity (0.7 mu M). Therefore, they may serve as promising lead compounds for further development by structure-activity relationship (SAR) studies to optimize the inhibitory activities. Structural features relevant to the stabilization of the newly identified inhibitors in the ATP-binding site of BRAF are discussed in detail. (C) 2011 Elsevier Ltd. All rights reserved. | - |
dc.language | English | - |
dc.publisher | PERGAMON-ELSEVIER SCIENCE LTD | - |
dc.subject | B-RAF KINASE | - |
dc.subject | METASTATIC MELANOMA | - |
dc.subject | GENETIC ALGORITHM | - |
dc.subject | DISCOVERY | - |
dc.subject | CARCINOMA | - |
dc.subject | MUTATIONS | - |
dc.subject | CANCER | - |
dc.subject | POTENT | - |
dc.title | Identification of novel BRAF kinase inhibitors with structure-based virtual screening | - |
dc.type | Article | - |
dc.identifier.wosid | 000294714400019 | - |
dc.identifier.scopusid | 2-s2.0-80052604878 | - |
dc.type.rims | ART | - |
dc.citation.volume | 21 | - |
dc.citation.issue | 19 | - |
dc.citation.beginningpage | 5753 | - |
dc.citation.endingpage | 5756 | - |
dc.citation.publicationname | BIOORGANIC MEDICINAL CHEMISTRY LETTERS | - |
dc.contributor.localauthor | Hong, Sungwoo | - |
dc.contributor.nonIdAuthor | Park, H | - |
dc.contributor.nonIdAuthor | Choi, H | - |
dc.type.journalArticle | Article | - |
dc.subject.keywordAuthor | Virtual screening | - |
dc.subject.keywordAuthor | Docking | - |
dc.subject.keywordAuthor | BRAF inhibitor | - |
dc.subject.keywordAuthor | Anticancer agents | - |
dc.subject.keywordPlus | B-RAF KINASE | - |
dc.subject.keywordPlus | METASTATIC MELANOMA | - |
dc.subject.keywordPlus | GENETIC ALGORITHM | - |
dc.subject.keywordPlus | DISCOVERY | - |
dc.subject.keywordPlus | CARCINOMA | - |
dc.subject.keywordPlus | MUTATIONS | - |
dc.subject.keywordPlus | CANCER | - |
dc.subject.keywordPlus | POTENT | - |
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