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 | Kim, D | ko |
dc.contributor.author | Oh, DS | ko |
dc.contributor.author | Hong, Sungwoo | ko |
dc.date.accessioned | 2013-03-11T01:15:49Z | - |
dc.date.available | 2013-03-11T01:15:49Z | - |
dc.date.created | 2012-02-06 | - |
dc.date.created | 2012-02-06 | - |
dc.date.issued | 2011-04 | - |
dc.identifier.citation | BIOORGANIC MEDICINAL CHEMISTRY LETTERS, v.21, no.7, pp.2021 - 2024 | - |
dc.identifier.issn | 0960-894X | - |
dc.identifier.uri | http://hdl.handle.net/10203/97889 | - |
dc.description.abstract | Phosphoinositide 3-kinase alpha (PI3K alpha) has proved to be an attractive target for the development of therapeutics for the treatment of cancer. Herein we report a successful application of the structure-based virtual screening to identify the novel inhibitors of PI3K alpha. These inhibitors have desirable physicochemical properties as a drug candidate and reveal a moderate potency with IC50 values ranging from 20 to 40 mu M. Therefore, they deserve a consideration 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 PI3K alpha are addressed in detail. (C) 2011 Elsevier Ltd. All rights reserved. | - |
dc.language | English | - |
dc.publisher | PERGAMON-ELSEVIER SCIENCE LTD | - |
dc.subject | P110-ALPHA INHIBITORS | - |
dc.subject | BIOLOGICAL EVALUATION | - |
dc.subject | GENETIC ALGORITHM | - |
dc.subject | PI3 KINASE | - |
dc.subject | MUTATIONS | - |
dc.subject | CANCER | - |
dc.subject | SOLVATION | - |
dc.subject | DOCKING | - |
dc.subject | PATHWAY | - |
dc.subject | GDC-0941 | - |
dc.title | Structure-based virtual screening approach to the discovery of phosphoinositide 3-kinase alpha inhibitors | - |
dc.type | Article | - |
dc.identifier.wosid | 000288245100025 | - |
dc.identifier.scopusid | 2-s2.0-79952486133 | - |
dc.type.rims | ART | - |
dc.citation.volume | 21 | - |
dc.citation.issue | 7 | - |
dc.citation.beginningpage | 2021 | - |
dc.citation.endingpage | 2024 | - |
dc.citation.publicationname | BIOORGANIC MEDICINAL CHEMISTRY LETTERS | - |
dc.identifier.doi | 10.1016/j.bmcl.2011.02.015 | - |
dc.contributor.localauthor | Hong, Sungwoo | - |
dc.contributor.nonIdAuthor | Park, H | - |
dc.contributor.nonIdAuthor | Choi, H | - |
dc.contributor.nonIdAuthor | Oh, DS | - |
dc.type.journalArticle | Article | - |
dc.subject.keywordAuthor | Virtual screening | - |
dc.subject.keywordAuthor | Docking | - |
dc.subject.keywordAuthor | PI3K alpha | - |
dc.subject.keywordAuthor | Inhibitor | - |
dc.subject.keywordAuthor | Anticancer agents | - |
dc.subject.keywordPlus | P110-ALPHA INHIBITORS | - |
dc.subject.keywordPlus | BIOLOGICAL EVALUATION | - |
dc.subject.keywordPlus | GENETIC ALGORITHM | - |
dc.subject.keywordPlus | PI3 KINASE | - |
dc.subject.keywordPlus | MUTATIONS | - |
dc.subject.keywordPlus | CANCER | - |
dc.subject.keywordPlus | SOLVATION | - |
dc.subject.keywordPlus | DOCKING | - |
dc.subject.keywordPlus | PATHWAY | - |
dc.subject.keywordPlus | GDC-0941 | - |
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