Identification of Potent VHZ Phosphatase Inhibitors with Structure-Based Virtual Screening
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Park, Hwangseo | - |
dc.contributor.author | Park, So Ya | - |
dc.contributor.author | Oh, Jung Jin | - |
dc.contributor.author | Ryu, Seong Eon | - |
dc.date.accessioned | 2022-07-16T11:21:52Z | - |
dc.date.available | 2022-07-16T11:21:52Z | - |
dc.date.created | 2021-05-12 | - |
dc.date.issued | 2013-02 | - |
dc.identifier.issn | 1087-0571 | - |
dc.identifier.uri | https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/163517 | - |
dc.description.abstract | VH1-like phosphatase Z (VHZ) has proved to be a promising target for the development of therapeutics for the treatment of human cancers. Here, we report the first example for a successful application of structure-based virtual screening to identify the novel small-molecule inhibitors of VHZ. These inhibitors revealed high potencies with the associated IC50 values ranging from 3 to 20 mu M and were also screened for having desirable physicochemical properties as a drug candidate. Therefore, they deserve consideration for further development by structure-activity relationship studies to optimize inhibitory and anticancer activities. Structural features relevant to the stabilization of the newly identified inhibitors in the active site of VHZ are discussed in detail. | - |
dc.language | 영어 | - |
dc.language.iso | en | - |
dc.publisher | SAGE PUBLICATIONS INC | - |
dc.title | Identification of Potent VHZ Phosphatase Inhibitors with Structure-Based Virtual Screening | - |
dc.type | Article | - |
dc.contributor.affiliatedAuthor | Ryu, Seong Eon | - |
dc.identifier.doi | 10.1177/1087057112463067 | - |
dc.identifier.scopusid | 2-s2.0-84872592160 | - |
dc.identifier.wosid | 000313661900009 | - |
dc.identifier.bibliographicCitation | JOURNAL OF BIOMOLECULAR SCREENING, v.18, no.2, pp.226 - 231 | - |
dc.relation.isPartOf | JOURNAL OF BIOMOLECULAR SCREENING | - |
dc.citation.title | JOURNAL OF BIOMOLECULAR SCREENING | - |
dc.citation.volume | 18 | - |
dc.citation.number | 2 | - |
dc.citation.startPage | 226 | - |
dc.citation.endPage | 231 | - |
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 | Biochemistry & Molecular Biology | - |
dc.relation.journalResearchArea | Biotechnology & Applied Microbiology | - |
dc.relation.journalResearchArea | Chemistry | - |
dc.relation.journalWebOfScienceCategory | Biochemical Research Methods | - |
dc.relation.journalWebOfScienceCategory | Biotechnology & Applied Microbiology | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Analytical | - |
dc.subject.keywordPlus | GENETIC ALGORITHM | - |
dc.subject.keywordPlus | SOLVATION | - |
dc.subject.keywordPlus | DOCKING | - |
dc.subject.keywordAuthor | cheminformatics | - |
dc.subject.keywordAuthor | computational chemistry | - |
dc.subject.keywordAuthor | enzyme assays | - |
dc.subject.keywordAuthor | medicinal chemistry | - |
dc.identifier.url | https://journals.sagepub.com/doi/10.1177/1087057112463067 | - |
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