2006 Fiscal Year Final Research Report Summary
Topological Study of the Conformational Interconversion Pathway and Molecular Folding
| Project/Area Number |
17590032
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Physical pharmacy
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| Research Institution | International University of Health and Welfare (2006)
The University of Tokushima (2005) |
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Principal Investigator |
GOTO Satoru International University of Health and Welfare, Faculty of Pharmaceutical Sciences, Associate Professor, 薬学部, 准教授 (50253232)
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| Co-Investigator(Kenkyū-buntansha) |
KOMATSU Kazushi Kochi University, Faculty of Science, Associate Professor, 理学部, 准教授 (00253336)
HORI Hitoshi University of Tokushima, Faculty of Engineering, Professor, 工学部, 教授 (90119008)
TERADA Hiroshi Tokyo University of Science, Faculty of Pharmaceutical Sciences, Professor, 薬学部, 教授 (00035544)
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| Project Period (FY) |
2005 – 2006
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| Keywords | manifold / cepharanthine / tetrandrine / principle component analysis / AMBER / nuclear magnetic resonance |
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| Research Abstract |
Structural features of cepharanthine on its antiperoxidation and radical scavenging activities were determined by the crystallographic and theoretical studies. Our obtained results indicated that the conformational flexibility of this macrocyclic alkaloid was informative to the activities.
We computed the conformational variations of macrolide antibiotics, erythromycin A (EMA), clarithromycin (CAM), and azithromycin (AZM), using our developed program of the comprehensive conformational search adaptive to the medicinal and phytochemical compounds. According to the obtained results, we predicted that the α-chains (at 1-8 positions) of the macrocyclic backborns obviously have higher flexibility than their ω-chains (at 9-13 positions). Actually, diversity of three-dimensional structure of these macrolides were observed at α-chain rather than at ω-chain, in the ligand-site complex with any biomacromolecules. In the present work, we investigated the solution structures of these macrolides, based on the NMR spectroscopy. We successfully quantified the flexibility of α- and ω-chains.
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Research Products
(6 results)
