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Structural studies of coenzyme Q10 inclusion complex with g-cyclodextrin using chemical analyses and molecular modeling
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- Miyamoto Shuichi
- Faculty of Pharmaceutical Sciences, Sojo University
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- Kawai Akito
- Faculty of Pharmaceutical Sciences, Sojo University
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- Higuchi Shigesada
- Faculty of Pharmaceutical Sciences, Sojo University
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- Nishi Yuki
- School of Pharmaceutical Sciences, Mukogawa Women's University
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- Tanimoto Toshiko
- School of Pharmaceutical Sciences, Mukogawa Women's University
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- Uekaji Yukiko
- School of Pharmaceutical Sciences, Mukogawa Women's University
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- Nakata Daisuke
- CycloChem Co., Ltd.
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- Fukumi Hiroshi
- CycloChem Co., Ltd.
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- Terao Keiji
- CycloChem Co., Ltd.
Bibliographic Information
- Other Title
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- 化学的解析と分子モデリングによるコエンザイムQ10の γ-シクロデキストリン包接体の構造に関する研究
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Description
The stability, dispersibility and oral bioavailability of coenzyme Q10 (CoQ10) are known to be improved upon complexing CoQ10 with g-cyclodextrin (γ-CD). However, the details of the three-dimensional structure of the γ-CD/CoQ10 complex are not well understood. Therefore, the molecular composition and three-dimensional structure of the complex were investigated using chemical analyses and molecular modeling. The molecular ratio of γ-CD and CoQ10 in the complex was investigated by NMR as well as by HPLC to determine the γ-CD/CoQ10 ratio of 2.5. DSC analysis of the γ-CD/CoQ10 complex indicated formation of the inclusion complex. Three different complex models (γ-CDx2+CoQ10; γ-CDx3+CoQ10; γ-CDx5+CoQ10x2) that correspond to the derived γ-CD/CoQ10 ratio were also constructed and then molecular mechanics and dynamics calculations were carried out to provide several possible complex structures. Based on the complex structures thus obtained, structural and energetic features of the complexes were examined
Journal
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- Chem-Bio Informatics Journal
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Chem-Bio Informatics Journal 9 1-11, 2009
Chem-Bio Informatics Society
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Keywords
Details 詳細情報について
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- CRID
- 1390282680079146752
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- NII Article ID
- 130004138184
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- DOI
- 10.1273/cbij.9.1
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- COI
- 1:CAS:528:DC%2BD1MXhtVyltrnI
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- ISSN
- 13470442
- 13476297
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- Data Source
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- JaLC
- Crossref
- CiNii Articles
- OpenAIRE
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- Abstract License Flag
- Disallowed