Structure-based virtual screening approach to the discovery of novel PTPMT1 phosphatase inhibitors = PTPMT1 탈인산화효소의 저해제 개발을 위한 구조기반 가상검색

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dc.contributor.authorH Park-
dc.contributor.authorS Y Kim-
dc.contributor.authorA Kyung-
dc.contributor.authorTae-Sung Yoon-
dc.contributor.authorS E Ryu-
dc.contributor.authorDae Gwin Jeong-
dc.date.accessioned2017-04-19T09:27:34Z-
dc.date.available2017-04-19T09:27:34Z-
dc.date.issued2012-
dc.identifier.issn0960-894X-
dc.identifier.uri10.1016/j.bmcl.2011.10.083ko
dc.identifier.urihttps://oak.kribb.re.kr/handle/201005/10503-
dc.description.abstractDual-specificity protein tyrosine phosphatase localized to mitochondrion 1 (PTPMT1) has recently proved to be a promising therapeutic target for the treatment of type II diabetes. Herein we report the first example for a successful application of the structure-based virtual screening to identify the novel inhibitors of human PTPMT1. These inhibitors were computationally screened for having desirable physicochemical properties as a drug candidate and reveal a high potency with IC 50 values ranging from 0.7 to 17.3 μM. Therefore, they deserve consideration for further development by structure-activity relationship studies to optimize the antidiabetic activities. Structural features relevant to the stabilization of the newly identified inhibitors in the active site of PTPMT1 are addressed in detail.-
dc.publisherElsevier-
dc.titleStructure-based virtual screening approach to the discovery of novel PTPMT1 phosphatase inhibitors = PTPMT1 탈인산화효소의 저해제 개발을 위한 구조기반 가상검색-
dc.title.alternativeStructure-based virtual screening approach to the discovery of novel PTPMT1 phosphatase inhibitors-
dc.typeArticle-
dc.citation.titleBioorganic & Medicinal Chemistry Letters-
dc.citation.number2-
dc.citation.endPage1275-
dc.citation.startPage1271-
dc.citation.volume22-
dc.contributor.affiliatedAuthorTae-Sung Yoon-
dc.contributor.affiliatedAuthorDae Gwin Jeong-
dc.contributor.alternativeName박황서-
dc.contributor.alternativeName김송이-
dc.contributor.alternativeName경아영-
dc.contributor.alternativeName윤태성-
dc.contributor.alternativeName류성언-
dc.contributor.alternativeName정대균-
dc.identifier.bibliographicCitationBioorganic & Medicinal Chemistry Letters, vol. 22, no. 2, pp. 1271-1275-
dc.identifier.doi10.1016/j.bmcl.2011.10.083-
dc.subject.keywordAntidiabetic agents-
dc.subject.keywordDocking-
dc.subject.keywordInhibitor-
dc.subject.keywordPTPMT1-
dc.subject.keywordVirtual screening-
dc.subject.localAntidiabetic agents-
dc.subject.localdocking-
dc.subject.localDocking-
dc.subject.localinhibitors-
dc.subject.localInhibitors-
dc.subject.localinhibitor-
dc.subject.localInhibitor-
dc.subject.localPTPMT1-
dc.subject.localVirtual screening-
dc.description.journalClassY-
Appears in Collections:
Critical Diseases Diagnostics Convergence Research Center > 1. Journal Articles
Division of Research on National Challenges > Bionanotechnology Research Center > 1. Journal Articles
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