ID 111927
タイトル別表記
Elucidation of inhibitor-binding pocket of D-amino acid oxidase using docking simulation and N-sulfanylethylanilide-based labeling technology
著者
Kohiki, Taiki Tokushima University
Nishikawa, Yusuke Tokushima University
Denda, Masaya Tokushima University
重永, 章 Tokushima University|Japan Science and Technology Agency (JST) 徳島大学 教育研究者総覧 KAKEN研究者をさがす
資料タイプ
学術雑誌論文
抄録
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.
掲載誌名
Organic & Biomolecular Chemistry
ISSN
14770520
14770539
cat書誌ID
AA1168650X
AA12084375
出版者
The Royal Society of Chemistry
15
25
開始ページ
5289
終了ページ
5297
発行日
2017-05-05
権利情報
© The Royal Society of Chemistry 2017
EDB ID
324497
出版社版DOI
出版社版URL
フルテキストファイル
言語
eng
著者版フラグ
著者版
部局
先端酵素学研究所
技術支援部
薬学系