DC Field | Value | Language |
---|---|---|
dc.contributor.author | Lee, Hyung Ki | ko |
dc.contributor.author | Kim, Mi-Kyung | ko |
dc.contributor.author | Kim, Ha Dong | ko |
dc.contributor.author | Kim, Heung Jae | ko |
dc.contributor.author | Kim, Ji Won | ko |
dc.contributor.author | Lee, Jie-Oh | ko |
dc.contributor.author | Kim, Chan-Wha | ko |
dc.contributor.author | Kim, Eunice EunKyeong | ko |
dc.date.accessioned | 2018-01-22T02:04:08Z | - |
dc.date.available | 2018-01-22T02:04:08Z | - |
dc.date.created | 2017-12-18 | - |
dc.date.created | 2017-12-18 | - |
dc.date.issued | 2017-12 | - |
dc.identifier.citation | BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS, v.494, no.3-4, pp.452 - 459 | - |
dc.identifier.issn | 0006-291X | - |
dc.identifier.uri | http://hdl.handle.net/10203/237153 | - |
dc.description.abstract | Evogliptin ((R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(tert-butoxymethyl)piperazine-2-one)) is a highly potent selective inhibitor of dipeptidyl peptidase IV (DPP4) that was approved for the treatment of type 2 diabetes in South Korea. In this study, we report the crystal structures of Evogliptin, DA-12166, and DA-12228 (S,R diastereomer of Evogliptin) complexed to human DPP4. Analysis of both the structures and inhibitory activities suggests that the binding of the trifluorophenyl moiety in the S-1 pocket and the piperazine-2-one moiety have hydrophobic interactions with Phe357 in the S-2 extensive subsite, and that the multiple hydrogen bonds made by the (R)-beta-amine group in the S-2 pocket and the contacts made by the (R)-tert-butyl group with Arg125 contribute to the high potency observed for Evogliptin. (c) 2017 Elsevier Inc. All rights reserved. | - |
dc.language | English | - |
dc.publisher | ACADEMIC PRESS INC ELSEVIER SCIENCE | - |
dc.subject | HIGHLY POTENT | - |
dc.subject | PRECLINICAL PROFILE | - |
dc.subject | INHIBITOR | - |
dc.subject | DISCOVERY | - |
dc.subject | SYSTEM | - |
dc.title | Unique binding mode of Evogliptin with human dipeptidyl peptidase IV | - |
dc.type | Article | - |
dc.identifier.wosid | 000416393300005 | - |
dc.identifier.scopusid | 2-s2.0-85032980700 | - |
dc.type.rims | ART | - |
dc.citation.volume | 494 | - |
dc.citation.issue | 3-4 | - |
dc.citation.beginningpage | 452 | - |
dc.citation.endingpage | 459 | - |
dc.citation.publicationname | BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS | - |
dc.identifier.doi | 10.1016/j.bbrc.2017.10.101 | - |
dc.contributor.localauthor | Lee, Jie-Oh | - |
dc.contributor.nonIdAuthor | Lee, Hyung Ki | - |
dc.contributor.nonIdAuthor | Kim, Mi-Kyung | - |
dc.contributor.nonIdAuthor | Kim, Ha Dong | - |
dc.contributor.nonIdAuthor | Kim, Heung Jae | - |
dc.contributor.nonIdAuthor | Kim, Chan-Wha | - |
dc.contributor.nonIdAuthor | Kim, Eunice EunKyeong | - |
dc.description.isOpenAccess | N | - |
dc.type.journalArticle | Article | - |
dc.subject.keywordAuthor | Dipeptidyl peptidase IV | - |
dc.subject.keywordAuthor | DPP4 | - |
dc.subject.keywordAuthor | Evogliptin | - |
dc.subject.keywordAuthor | Diabetes | - |
dc.subject.keywordAuthor | Inhibitor | - |
dc.subject.keywordAuthor | Complex structure | - |
dc.subject.keywordPlus | HIGHLY POTENT | - |
dc.subject.keywordPlus | PRECLINICAL PROFILE | - |
dc.subject.keywordPlus | INHIBITOR | - |
dc.subject.keywordPlus | DISCOVERY | - |
dc.subject.keywordPlus | SYSTEM | - |
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