Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Muddassar, M. | - |
dc.contributor.author | Pasha, F. A. | - |
dc.contributor.author | Chung, H. W. | - |
dc.contributor.author | Yoo, K. H. | - |
dc.contributor.author | Oh, C. H. | - |
dc.contributor.author | Cho, S. J. | - |
dc.date.accessioned | 2024-01-20T23:34:37Z | - |
dc.date.available | 2024-01-20T23:34:37Z | - |
dc.date.created | 2021-09-03 | - |
dc.date.issued | 2008-03 | - |
dc.identifier.issn | 1110-7243 | - |
dc.identifier.uri | https://pubs.kist.re.kr/handle/201004/133700 | - |
dc.description.abstract | Research by other investigators has established that insulin-like growth factor-1 receptor (IGF-1R) is a key oncological target, and that derivatives of 1, 3-disubstituted-imidazo[ 1,5-alpha] pyrazine are potent IGF-1R inhibitors. In this paper, we report on our three-dimensional quantitative structure activity relationship (3D-QSAR) studies for this series of compounds. We validated the 3D-QSAR models by the comparison of two major alignment schemes, namely, ligand-based (LB) and receptor-guided (RG) alignment schemes. The latter scheme yielded better 3D-QSAR models for both comparative molecular field analysis (CoMFA) (q(2) = 0.53, r(2) = 0.95) and comparative molecular similarity indices analysis (CoMSIA) (q(2) = 0.51, r(2) = 0.86). We submit that this might arise from the more accurate inhibitor alignment that results from using the structural information of the active site. We conclude that the receptor-guided 3D-QSAR may be helpful to design more potent IGF-1R inhibitors, as well as to understand their binding affinity with the receptor. Copyright (c) 2008 M. Muddassar et al. | - |
dc.language | English | - |
dc.publisher | HINDAWI LTD | - |
dc.subject | GROWTH-FACTOR-I | - |
dc.subject | BREAST-CANCER | - |
dc.subject | COMFA | - |
dc.subject | MOLECULES | - |
dc.subject | KINASE | - |
dc.subject | COMSIA | - |
dc.subject | FIELD | - |
dc.subject | QSAR | - |
dc.title | Receptor guided 3D-QSAR: A useful approach for designing of IGF-1R inhibitors | - |
dc.type | Article | - |
dc.identifier.doi | 10.1155/2008/837653 | - |
dc.description.journalClass | 1 | - |
dc.identifier.bibliographicCitation | JOURNAL OF BIOMEDICINE AND BIOTECHNOLOGY | - |
dc.citation.title | JOURNAL OF BIOMEDICINE AND BIOTECHNOLOGY | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.identifier.wosid | 000255761000001 | - |
dc.identifier.scopusid | 2-s2.0-41149088721 | - |
dc.relation.journalWebOfScienceCategory | Biotechnology & Applied Microbiology | - |
dc.relation.journalWebOfScienceCategory | Medicine, Research & Experimental | - |
dc.relation.journalResearchArea | Biotechnology & Applied Microbiology | - |
dc.relation.journalResearchArea | Research & Experimental Medicine | - |
dc.type.docType | Article | - |
dc.subject.keywordPlus | GROWTH-FACTOR-I | - |
dc.subject.keywordPlus | BREAST-CANCER | - |
dc.subject.keywordPlus | COMFA | - |
dc.subject.keywordPlus | MOLECULES | - |
dc.subject.keywordPlus | KINASE | - |
dc.subject.keywordPlus | COMSIA | - |
dc.subject.keywordPlus | FIELD | - |
dc.subject.keywordPlus | QSAR | - |
dc.subject.keywordAuthor | 3D QSAR | - |
dc.subject.keywordAuthor | molecular docking | - |
dc.subject.keywordAuthor | receptor-guided alignment | - |
dc.subject.keywordAuthor | inhibitors | - |
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