3D Structure, Dimerization Modeling, and Lead Discovery by Ligand-protein Interaction Analysis of p60 Transcription Regulator Protein (p60TRP)
DC Field | Value | Language |
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dc.contributor.author | Pramanik, Subrata | - |
dc.contributor.author | Kutzner, Arne | - |
dc.contributor.author | Heese, Klaus | - |
dc.date.accessioned | 2022-07-15T17:55:19Z | - |
dc.date.available | 2022-07-15T17:55:19Z | - |
dc.date.created | 2021-05-12 | - |
dc.date.issued | 2016-04 | - |
dc.identifier.issn | 1868-1743 | - |
dc.identifier.uri | https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/154847 | - |
dc.description.abstract | The p60 transcription regulator protein (p60TRP) is a basic helix-loop-helix (bHLH) domain-containing neuroprotective protein and a member of the G-protein-coupled receptor (GPCR)-associated sorting protein (GPRASP) family. In the present study, multiple theoretical physico-chemical methods (e. g. Modeller v.9.13, I-TASSER, PROCHECK and ClusPro v2.0 with PIPER) were applied to unveil the three-dimensional (3D) protein structure of the p60TRP homodimer protein and explore potential ligand-protein interactions. Our results suggest a Mg2+-containing 3D p60TRP dimer protein that potentially interacts with 5-(1-aziridinyl)-2,4-dinitrobenzamide (CB1954) and [2-(3-dodecylimidazolidin-1-yl)-1-phosphonoethyl] phosphonic acid (B73). The discovery of CB1954 and B73 may serve as a potential lead for further drug screening tests to normalize the p60TRP signaling pathway in neurodegenerative diseases. Interference with p60TRP signaling via CB1954/B73-related molecules might be a novel option for modifying neurodegenerative signaling pathways (e. g. RIN1, PP2A, RanBP5, CREB and SYNJ1) to treat various brain diseases. | - |
dc.language | 영어 | - |
dc.language.iso | en | - |
dc.publisher | WILEY-V C H VERLAG GMBH | - |
dc.title | 3D Structure, Dimerization Modeling, and Lead Discovery by Ligand-protein Interaction Analysis of p60 Transcription Regulator Protein (p60TRP) | - |
dc.type | Article | - |
dc.contributor.affiliatedAuthor | Kutzner, Arne | - |
dc.contributor.affiliatedAuthor | Heese, Klaus | - |
dc.identifier.doi | 10.1002/minf.201500035 | - |
dc.identifier.scopusid | 2-s2.0-84937836769 | - |
dc.identifier.wosid | 000374002000002 | - |
dc.identifier.bibliographicCitation | MOLECULAR INFORMATICS, v.35, no.3-4, pp.99 - 108 | - |
dc.relation.isPartOf | MOLECULAR INFORMATICS | - |
dc.citation.title | MOLECULAR INFORMATICS | - |
dc.citation.volume | 35 | - |
dc.citation.number | 3-4 | - |
dc.citation.startPage | 99 | - |
dc.citation.endPage | 108 | - |
dc.type.rims | ART | - |
dc.type.docType | Article | - |
dc.description.journalClass | 1 | - |
dc.description.isOpenAccess | N | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Pharmacology & Pharmacy | - |
dc.relation.journalResearchArea | Computer Science | - |
dc.relation.journalResearchArea | Mathematical & Computational Biology | - |
dc.relation.journalWebOfScienceCategory | Chemistry | - |
dc.relation.journalWebOfScienceCategory | Medicinal | - |
dc.relation.journalWebOfScienceCategory | Computer Science | - |
dc.relation.journalWebOfScienceCategory | Interdisciplinary Applications | - |
dc.relation.journalWebOfScienceCategory | Mathematical & Computational Biology | - |
dc.subject.keywordPlus | GERANYLGERANYL DIPHOSPHATE SYNTHASE | - |
dc.subject.keywordPlus | COUPLED RECEPTORS | - |
dc.subject.keywordPlus | STRUCTURE PREDICTION | - |
dc.subject.keywordPlus | THERAPEUTIC TARGETS | - |
dc.subject.keywordPlus | SECONDARY STRUCTURE | - |
dc.subject.keywordPlus | IN-SILICO | - |
dc.subject.keywordPlus | INHIBITION | - |
dc.subject.keywordPlus | DISORDERS | - |
dc.subject.keywordPlus | COMPLEXES | - |
dc.subject.keywordPlus | DATABASE | - |
dc.subject.keywordAuthor | BHLHB9 | - |
dc.subject.keywordAuthor | p60TRP | - |
dc.subject.keywordAuthor | in silico | - |
dc.subject.keywordAuthor | interaction | - |
dc.subject.keywordAuthor | lead discovery | - |
dc.subject.keywordAuthor | brain | - |
dc.subject.keywordAuthor | Alzheimer&apos | - |
dc.subject.keywordAuthor | s disease | - |
dc.identifier.url | https://onlinelibrary.wiley.com/doi/10.1002/minf.201500035 | - |
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