3D-QSAR Study of Melanin Inhibiting (S)-(+)-Decursin and its Analogues by Pharmacophore Mapping
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Lee, Kyeong | - |
dc.contributor.author | Jung, Sang Won | - |
dc.contributor.author | Naik, Ravi | - |
dc.contributor.author | Cho, Art E. | - |
dc.date.accessioned | 2021-09-06T22:57:52Z | - |
dc.date.available | 2021-09-06T22:57:52Z | - |
dc.date.created | 2021-06-18 | - |
dc.date.issued | 2012-01-20 | - |
dc.identifier.issn | 0253-2964 | - |
dc.identifier.uri | https://scholar.korea.ac.kr/handle/2021.sw.korea/109065 | - |
dc.description.abstract | The (S)-(+)-decursin and its analogues are reported as potent inhibitors of melanin production in B16 murine melanoma cells. In order to understand the factors responsible for potency as well as inhibition of potency of (S)-(+)-decursin and its analogues, three-dimensional quantitative structure-activity relationship (3D-QSAR) studies were performed. Since receptor structures are not available, a pharmacophore model was constructed. Using PHASE, we generated 3 different models and selected the seven-site model, which returned excellent statistical values (r(2) = 0.9127, Q(2)= 0.6878, Pearson-R = 0.9014). Using the generated pharmacophore model, we screened a natural products library and obtained 4'-epi-decursin as the most related compound. 4'-epi-decursin is similar to (S)-(+)-decursin, but shows additional interaction possibilities with tyrosinase. The study thus sheds some light on possibility of developing more potent tyrosinase inhibitors. | - |
dc.language | English | - |
dc.language.iso | en | - |
dc.publisher | WILEY-V C H VERLAG GMBH | - |
dc.subject | DATABASE | - |
dc.subject | PHASE | - |
dc.title | 3D-QSAR Study of Melanin Inhibiting (S)-(+)-Decursin and its Analogues by Pharmacophore Mapping | - |
dc.type | Article | - |
dc.contributor.affiliatedAuthor | Cho, Art E. | - |
dc.identifier.doi | 10.5012/bkcs.2012.33.1.149 | - |
dc.identifier.scopusid | 2-s2.0-84862954800 | - |
dc.identifier.wosid | 000300473700025 | - |
dc.identifier.bibliographicCitation | BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.33, no.1, pp.149 - 152 | - |
dc.relation.isPartOf | BULLETIN OF THE KOREAN CHEMICAL SOCIETY | - |
dc.citation.title | BULLETIN OF THE KOREAN CHEMICAL SOCIETY | - |
dc.citation.volume | 33 | - |
dc.citation.number | 1 | - |
dc.citation.startPage | 149 | - |
dc.citation.endPage | 152 | - |
dc.type.rims | ART | - |
dc.type.docType | Article | - |
dc.identifier.kciid | ART001628823 | - |
dc.description.journalClass | 1 | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.description.journalRegisteredClass | kci | - |
dc.relation.journalResearchArea | Chemistry | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Multidisciplinary | - |
dc.subject.keywordPlus | DATABASE | - |
dc.subject.keywordPlus | PHASE | - |
dc.subject.keywordAuthor | Pharmacophore | - |
dc.subject.keywordAuthor | (S)-(+)-Decursin | - |
dc.subject.keywordAuthor | Melanin inhibitors | - |
dc.subject.keywordAuthor | 3D-QSAR | - |
dc.subject.keywordAuthor | PHASE | - |
Items in ScholarWorks are protected by copyright, with all rights reserved, unless otherwise indicated.
(02841) 서울특별시 성북구 안암로 14502-3290-1114
COPYRIGHT © 2021 Korea University. All Rights Reserved.
Certain data included herein are derived from the © Web of Science of Clarivate Analytics. All rights reserved.
You may not copy or re-distribute this material in whole or in part without the prior written consent of Clarivate Analytics.