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DC Field | Value | Language |
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dc.citation.number | 2 | - |
dc.citation.startPage | 126809 | - |
dc.citation.title | BIOORGANIC & MEDICINAL CHEMISTRY LETTERS | - |
dc.citation.volume | 30 | - |
dc.contributor.author | Jung, Sejin | - |
dc.contributor.author | Yoon, Nam Gu | - |
dc.contributor.author | Yang, Sujae | - |
dc.contributor.author | Kim, Darong | - |
dc.contributor.author | Lee, Won Seok | - |
dc.contributor.author | Hong, Ki Bum | - |
dc.contributor.author | Lee, Changwook | - |
dc.contributor.author | Kang, Byoung Heon | - |
dc.contributor.author | Lee, Ji Hoon | - |
dc.contributor.author | Kang, Soosung | - |
dc.date.accessioned | 2023-12-21T18:09:49Z | - |
dc.date.available | 2023-12-21T18:09:49Z | - |
dc.date.created | 2020-01-23 | - |
dc.date.issued | 2020-01 | - |
dc.description.abstract | As the most abundant heat shock protein (HSP), Hsp90 is actively involved in tumor cell growth and various responses to anti-carcinogenic stress. Hsp90 has thus emerged as a potential drug target. A structure-based drug design approach was applied to develop novel resorcinolyltriazole derivatives as Hsp90 inhibitors. Structure-activity relationships (SARs) and molecular docking were investigated to provide a rationale for binding affinity and paralog selectivity. Click chemistry between iodoethynylresorcinol and an azido derivative was used to synthesize a new family of 2-((4-resorcinolyl)-5-aryl-1,2,3-triazol-1-yl) acetates that exhibited Hsp90 binding affinities of 40-100 nM (IC50). Among the synthesized molecules, the triazole alkyl acetates displayed the highest Hsp90 binding affinities. Their potency against Hsp90 was over 100-fold stronger than against TRAP1 and 1-3-fold stronger than against Grp94. In particular, compounds 18, 19, and 30 had Hsp90 inhibitory activities of similar to 45 nM (IC50) and they displayed over 350-fold selectivity for Hsp90 over TRAP1. | - |
dc.identifier.bibliographicCitation | BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, v.30, no.2, pp.126809 | - |
dc.identifier.doi | 10.1016/j.bmcl.2019.126809 | - |
dc.identifier.issn | 0960-894X | - |
dc.identifier.scopusid | 2-s2.0-85076516721 | - |
dc.identifier.uri | https://scholarworks.unist.ac.kr/handle/201301/30946 | - |
dc.identifier.url | https://www.sciencedirect.com/science/article/pii/S0960894X19307784?via%3Dihub | - |
dc.identifier.wosid | 000504873300014 | - |
dc.language | 영어 | - |
dc.publisher | PERGAMON-ELSEVIER SCIENCE LTD | - |
dc.title | Discovery of 2-((4-resorcinolyl)-5-aryl-1,2,3-triazol-1-yl)acetates as potent Hsp90 inhibitors with selectivity over TRAP1 | - |
dc.type | Article | - |
dc.description.isOpenAccess | FALSE | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Medicinal; Chemistry, Organic | - |
dc.relation.journalResearchArea | Pharmacology & Pharmacy; Chemistry | - |
dc.type.docType | Article | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.subject.keywordAuthor | Hsp90 | - |
dc.subject.keywordAuthor | TRAP1 | - |
dc.subject.keywordAuthor | Grp94 | - |
dc.subject.keywordAuthor | Inhibitor | - |
dc.subject.keywordAuthor | Selectivity | - |
dc.subject.keywordAuthor | Resorcinol | - |
dc.subject.keywordAuthor | Triazole | - |
dc.subject.keywordPlus | MOLECULAR CHAPERONE | - |
dc.subject.keywordPlus | CRYSTAL-STRUCTURE | - |
dc.subject.keywordPlus | PROTEIN | - |
dc.subject.keywordPlus | SPECIFICITY | - |
dc.subject.keywordPlus | HSP90-ALPHA/BETA | - |
dc.subject.keywordPlus | IDENTIFICATION | - |
dc.subject.keywordPlus | GANETESPIB | - |
dc.subject.keywordPlus | AFFINITY | - |
dc.subject.keywordPlus | COMPLEX | - |
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