DC Field | Value | Language |
---|---|---|
dc.contributor.author | Lee-Huang, Sylvia | - |
dc.contributor.author | Huang, Philip Lin | - |
dc.contributor.author | Zhang, Dawei | - |
dc.contributor.author | Lee, Jae Wook | - |
dc.contributor.author | Bao, Ju | - |
dc.contributor.author | Sun, Yongtao | - |
dc.contributor.author | Chang, Young-Tae | - |
dc.contributor.author | Zhang, John | - |
dc.contributor.author | Huang, Paul Lee | - |
dc.date.accessioned | 2018-06-15T05:14:48Z | - |
dc.date.available | 2018-06-15T05:14:48Z | - |
dc.date.created | 2017-09-08 | - |
dc.date.issued | 2007-03 | - |
dc.identifier.issn | 0006-291X | - |
dc.identifier.uri | https://oasis.postech.ac.kr/handle/2014.oak/50257 | - |
dc.description.abstract | We report molecular modeling and functional confirmation of Ole and HT binding to HIV-1 integrase. Docking simulations identified two binding regions for Ole within the integrase active site. Region I encompasses the conserved D64-116-E152 motif, while region II involves the flexible loop region formed by amino acid residues 140-149. HT, on the other hand, binds to region II. Both Ole and HT exhibit favorable interactions with important amino acid residues through strong H-bonding and van der Waals contacts, predicting integrase inhibition. To test and confirm modeling predictions, we examined the effect of Ole and HT on HIV-1 integrase activities including 3'-processing, strand transfer, and disintegration. Ole and HT exhibit dose-dependent inhibition on all three activities, with EC(50)s in the nanomolar range. These studies demonstrate that molecular modeling of target-ligand interaction coupled with structural-activity analysis should facilitate the design and identification of innovative integrase inhibitors and other therapeutics. (c) 2007 Elsevier Inc. All rights reserved. | - |
dc.language | English | - |
dc.publisher | ACADEMIC PRESS INC ELSEVIER SCIENCE | - |
dc.relation.isPartOf | BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS | - |
dc.subject | HUMAN-IMMUNODEFICIENCY-VIRUS | - |
dc.subject | ESCHERICHIA-COLI | - |
dc.subject | TYPE-1 | - |
dc.subject | MUTATIONS | - |
dc.subject | MUTANT | - |
dc.subject | SITE | - |
dc.title | Discovery of small-molecule HIV-1 fusion and integrase inhibitors oleuropein and hydroxytyrosol: Part II. Integrase inhibition | - |
dc.type | Article | - |
dc.identifier.doi | 10.1016/j.bbrc.2007.01.058 | - |
dc.type.rims | ART | - |
dc.identifier.bibliographicCitation | BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS, v.354, no.4, pp.879 - 884 | - |
dc.identifier.wosid | 000244411800007 | - |
dc.date.tcdate | 2019-02-01 | - |
dc.citation.endPage | 884 | - |
dc.citation.number | 4 | - |
dc.citation.startPage | 879 | - |
dc.citation.title | BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS | - |
dc.citation.volume | 354 | - |
dc.contributor.affiliatedAuthor | Chang, Young-Tae | - |
dc.identifier.scopusid | 2-s2.0-33846821864 | - |
dc.description.journalClass | 1 | - |
dc.description.journalClass | 1 | - |
dc.description.wostc | 42 | - |
dc.type.docType | Article | - |
dc.subject.keywordPlus | HUMAN-IMMUNODEFICIENCY-VIRUS | - |
dc.subject.keywordPlus | ESCHERICHIA-COLI | - |
dc.subject.keywordPlus | TYPE-1 | - |
dc.subject.keywordPlus | MUTATIONS | - |
dc.subject.keywordPlus | MUTANT | - |
dc.subject.keywordPlus | SITE | - |
dc.subject.keywordAuthor | HIV-1 | - |
dc.subject.keywordAuthor | AIDS | - |
dc.subject.keywordAuthor | natural product | - |
dc.subject.keywordAuthor | small molecule HIV-1 inhibitors | - |
dc.subject.keywordAuthor | HIV-1 integrase inhibitor | - |
dc.subject.keywordAuthor | olive leaf extract (OLE) | - |
dc.subject.keywordAuthor | oleuropein (Ole) | - |
dc.subject.keywordAuthor | hydroxytyrosol (HT) | - |
dc.subject.keywordAuthor | structure-function | - |
dc.subject.keywordAuthor | molecular modeling | - |
dc.relation.journalWebOfScienceCategory | Biochemistry & Molecular Biology | - |
dc.relation.journalWebOfScienceCategory | Biophysics | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Biochemistry & Molecular Biology | - |
dc.relation.journalResearchArea | Biophysics | - |
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.
library@postech.ac.kr Tel: 054-279-2548
Copyrights © by 2017 Pohang University of Science ad Technology All right reserved.