2026-03-05T07:53:26Z https://tokushima-u.repo.nii.ac.jp/oai

oai:tokushima-u.repo.nii.ac.jp:02005092 2025-04-28T06:38:57Z 1713853213384:1713853295607

Elucidation of inhibitor-binding pocket of D-amino acid oxidase using docking simulation and N-sulfanylethylanilide-based labeling technology Elucidation of inhibitor-binding pockets of D-amino acid oxidase using docking simulation and N-sulfanylethylanilide-based labeling technology コヒキ, タイキ コヒキ, タイキ Kohiki, Taiki 加藤, 有介 746 カトウ, ユウスケ 70596816 Kato, Yusuke ニシカワ, ユウスケ ニシカワ, ユウスケ Nishikawa, Yusuke 頼田, 和子 162 ヨリタ, カズコ 60116879 Yorita, Kazuko 佐川, 幾子 460 サガワ, イクコ 209932/profile-ja.html Sagawa, Ikuko 傳田, 将也 1004 デンダ, マサヤ 364585/profile-ja.html Denda, Masaya 00813891 猪熊, 翼 666 イノクマ, ツバサ 272366/profile-ja.html Inokuma, Tsubasa 40541272 重永, 章 232 シゲナガ, アキラ 10423394 Shigenaga, Akira 福井, 清 271 フクイ, キヨシ 15881/profile-ja.html Fukui, Kiyoshi 00175564 大髙, 章 188 オオタカ, アキラ 121537/profile-ja.html Otaka, Akira 20201973 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. journal article The Royal Society of Chemistry 2017-05-05 AM application/pdf application/pdf Organic & Biomolecular Chemistry 25 15 5289 5297 14770520 14770539 AA1168650X AA12084375 https://tokushima-u.repo.nii.ac.jp/record/2005092/files/orbiochem_15_25_5289.pdf https://tokushima-u.repo.nii.ac.jp/record/2005092/files/orbiochem_15_25_5289_si.pdf https://tokushima-u.repo.nii.ac.jp/records/2005092 eng © The Royal Society of Chemistry 2017