Structural and molecular modelling studies of antimelanogenic piper-amide TRPM1 antagonists
DC Field | Value | Language |
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dc.contributor.author | Lee, J. -Y. | - |
dc.contributor.author | Cho, H. | - |
dc.contributor.author | Hwang, E. | - |
dc.contributor.author | Kim, S. Y. | - |
dc.contributor.author | Kim, S. | - |
dc.date.available | 2020-02-27T03:42:59Z | - |
dc.date.created | 2020-02-04 | - |
dc.date.issued | 2019-03-04 | - |
dc.identifier.issn | 1062-936X | - |
dc.identifier.uri | https://scholarworks.bwise.kr/gachon/handle/2020.sw.gachon/1697 | - |
dc.description.abstract | Piper-amides exhibit diverse biological activities, including antimelanogenic effects. In our previous studies, we identified a potent piper-amide derivative that inhibited melanogenesis via the TRPM1 calcium channel. Despite its potential as a therapeutic target, the three-dimensional structure of TRPM1 is still not available. Thus, structure-guided compound design and the discovery of novel inhibitors of melanogenesis have been limited. In the present study, a series of computational methods, including homology modelling, docking, molecular dynamics simulation and field-based pharmacophore modelling, were integrated to explore the structural features of natural piper-amide-like compounds related to the TRPM1 target. These studies suggested the binding mode and provided a 3D pharmacophore model of the ligands, which can be helpful in understanding the TRPM1-ligand interactions at the molecular level and in designing potent antagonists of TRPM1. | - |
dc.language | 영어 | - |
dc.language.iso | en | - |
dc.publisher | TAYLOR & FRANCIS LTD | - |
dc.relation.isPartOf | SAR AND QSAR IN ENVIRONMENTAL RESEARCH | - |
dc.subject | MELANOMA-CELLS | - |
dc.subject | PROTEIN | - |
dc.subject | MELANOCYTES | - |
dc.subject | INHIBITION | - |
dc.subject | TYROSINASE | - |
dc.title | Structural and molecular modelling studies of antimelanogenic piper-amide TRPM1 antagonists | - |
dc.type | Article | - |
dc.type.rims | ART | - |
dc.description.journalClass | 1 | - |
dc.identifier.wosid | 000459881200004 | - |
dc.identifier.doi | 10.1080/1062936X.2019.1574894 | - |
dc.identifier.bibliographicCitation | SAR AND QSAR IN ENVIRONMENTAL RESEARCH, v.30, no.3, pp.195 - 207 | - |
dc.identifier.scopusid | 2-s2.0-85062230277 | - |
dc.citation.endPage | 207 | - |
dc.citation.startPage | 195 | - |
dc.citation.title | SAR AND QSAR IN ENVIRONMENTAL RESEARCH | - |
dc.citation.volume | 30 | - |
dc.citation.number | 3 | - |
dc.contributor.affiliatedAuthor | Hwang, E. | - |
dc.contributor.affiliatedAuthor | Kim, S. Y. | - |
dc.type.docType | Article | - |
dc.subject.keywordAuthor | piper-amide | - |
dc.subject.keywordAuthor | TRPM1 | - |
dc.subject.keywordAuthor | homology modelling | - |
dc.subject.keywordAuthor | docking | - |
dc.subject.keywordAuthor | molecular dynamics simulation | - |
dc.subject.keywordAuthor | field-based pharmacophore modelling | - |
dc.subject.keywordPlus | MELANOMA-CELLS | - |
dc.subject.keywordPlus | PROTEIN | - |
dc.subject.keywordPlus | MELANOCYTES | - |
dc.subject.keywordPlus | INHIBITION | - |
dc.subject.keywordPlus | TYROSINASE | - |
dc.relation.journalResearchArea | Chemistry | - |
dc.relation.journalResearchArea | Computer Science | - |
dc.relation.journalResearchArea | Environmental Sciences & Ecology | - |
dc.relation.journalResearchArea | Mathematical & Computational Biology | - |
dc.relation.journalResearchArea | Toxicology | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Multidisciplinary | - |
dc.relation.journalWebOfScienceCategory | Computer Science, Interdisciplinary Applications | - |
dc.relation.journalWebOfScienceCategory | Environmental Sciences | - |
dc.relation.journalWebOfScienceCategory | Mathematical & Computational Biology | - |
dc.relation.journalWebOfScienceCategory | Toxicology | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
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