Structure-based virtual screening approach to the discovery of novel PTPMT1 phosphatase inhibitors
DC Field | Value | Language |
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dc.contributor.author | Park, Hwangseo | - |
dc.contributor.author | Kim, Song Yi | - |
dc.contributor.author | Kyung, Ayoung | - |
dc.contributor.author | Yoon, Tae-sung | - |
dc.contributor.author | Ryu, Seong Eon | - |
dc.contributor.author | Jeong, Dae Gwin | - |
dc.date.accessioned | 2022-07-16T17:09:44Z | - |
dc.date.available | 2022-07-16T17:09:44Z | - |
dc.date.created | 2021-05-12 | - |
dc.date.issued | 2012-01 | - |
dc.identifier.issn | 0960-894X | - |
dc.identifier.uri | https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/166565 | - |
dc.description.abstract | Dual-specificity protein 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 IC50 values ranging from 0.7 to 17.3 mu M. 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.language | 영어 | - |
dc.language.iso | en | - |
dc.publisher | PERGAMON-ELSEVIER SCIENCE LTD | - |
dc.title | Structure-based virtual screening approach to the discovery of novel PTPMT1 phosphatase inhibitors | - |
dc.type | Article | - |
dc.contributor.affiliatedAuthor | Ryu, Seong Eon | - |
dc.identifier.doi | 10.1016/j.bmcl.2011.10.083 | - |
dc.identifier.scopusid | 2-s2.0-84855675692 | - |
dc.identifier.wosid | 000299653500103 | - |
dc.identifier.bibliographicCitation | BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, v.22, no.2, pp.1271 - 1275 | - |
dc.relation.isPartOf | BIOORGANIC & MEDICINAL CHEMISTRY LETTERS | - |
dc.citation.title | BIOORGANIC & MEDICINAL CHEMISTRY LETTERS | - |
dc.citation.volume | 22 | - |
dc.citation.number | 2 | - |
dc.citation.startPage | 1271 | - |
dc.citation.endPage | 1275 | - |
dc.type.rims | ART | - |
dc.type.docType | Article | - |
dc.description.journalClass | 1 | - |
dc.description.isOpenAccess | N | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Pharmacology & Pharmacy | - |
dc.relation.journalResearchArea | Chemistry | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Medicinal | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Organic | - |
dc.subject.keywordPlus | MITOCHONDRIAL PHOSPHATASE | - |
dc.subject.keywordPlus | GENETIC ALGORITHM | - |
dc.subject.keywordPlus | SOLVATION | - |
dc.subject.keywordPlus | DOCKING | - |
dc.subject.keywordPlus | SPECIFICITY | - |
dc.subject.keywordPlus | PREDICTION | - |
dc.subject.keywordAuthor | Virtual screening | - |
dc.subject.keywordAuthor | PTPMT1 | - |
dc.subject.keywordAuthor | Inhibitor | - |
dc.subject.keywordAuthor | Docking | - |
dc.subject.keywordAuthor | Antidiabetic agents | - |
dc.identifier.url | https://www.sciencedirect.com/science/article/pii/S0960894X11014909?via%3Dihub | - |
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