| Item type |
文献 / Documents(1) |
| 公開日 |
2018-07-30 |
| アクセス権 |
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|
アクセス権 |
open access |
| 資源タイプ |
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資源タイプ識別子 |
http://purl.org/coar/resource_type/c_6501 |
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資源タイプ |
journal article |
| 出版社版DOI |
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|
関連識別子 |
https://doi.org/10.1039/C7OB00633K |
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関連名称 |
10.1039/C7OB00633K |
| 出版タイプ |
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|
出版タイプ |
AM |
|
出版タイプResource |
http://purl.org/coar/version/c_ab4af688f83e57aa |
| タイトル |
|
|
タイトル |
Elucidation of inhibitor-binding pockets of D-amino acid oxidase using docking simulation and N-sulfanylethylanilide-based labeling technology |
| タイトル別表記 |
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その他のタイトル |
Elucidation of inhibitor-binding pocket of D-amino acid oxidase using docking simulation and N-sulfanylethylanilide-based labeling technology |
| 著者 |
コヒキ, タイキ
加藤, 有介
ニシカワ, ユウスケ
頼田, 和子
佐川, 幾子
傳田, 将也
猪熊, 翼
重永, 章
福井, 清
大髙, 章
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| 抄録 |
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|
内容記述 |
Because of relevance of D-serine (D-Ser) to schizophrenia, inhibitors of D-amino acid oxidase (DAO), which catalyzes degradation of D-Ser in the presence of flavin adeninde dinucleotide (FAD), are expected as anti-schizophrenia therapeutics. In this study, binding pockets of DAO to its inhibitor 4-bromo-3-nitrobenzoic acid were searched by combining in silico docking simulation and labeling experiments employing an N-sulfanylethylanilide-based labeling technology we have developed. The results clearly demonstrated that there are two binding pockets: one is shared with D-Ser and FAD, and the other is an unexpected cleft between subunits of a DAO dimer. These findings will provide insight to aid the development of new hDAO inhibitors. In addition, it was also proved that our labeling technology could be applicable to elucidate the binding pockets of proteins. |
| 書誌情報 |
en : Organic & Biomolecular Chemistry
巻 15,
号 25,
p. 5289-5297,
発行日 2017-05-05
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| 収録物ID |
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収録物識別子タイプ |
ISSN |
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収録物識別子 |
14770520 |
| 収録物ID |
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|
収録物識別子タイプ |
ISSN |
|
収録物識別子 |
14770539 |
| 収録物ID |
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|
収録物識別子タイプ |
NCID |
|
収録物識別子 |
AA1168650X |
| 収録物ID |
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|
収録物識別子タイプ |
NCID |
|
収録物識別子 |
AA12084375 |
| 出版者 |
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|
出版者 |
The Royal Society of Chemistry |
| 権利情報 |
|
|
権利情報 |
© The Royal Society of Chemistry 2017 |
| EID |
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|
識別子 |
324497 |
| 言語 |
|
|
言語 |
eng |
orbiochem_15_25_5289.pdf (810 KB)
