3UXE

Design, Synthesis and Biological Evaluation of Potent Quinoline and Pyrroloquinoline Ammosamide Analogues as Inhibitors for Quinone Reductase 2

3UXE の概要

• エントリーDOI: 10.2210/pdb3uxe/pdb
• 関連するPDBエントリー: 3UXH
• 分子名称: Ribosyldihydronicotinamide dehydrogenase [quinone], ZINC ION, FLAVIN-ADENINE DINUCLEOTIDE, ... (6 entities in total)
• 機能のキーワード: flavoprotein, quinone reductase, cytosol, oxidoreductase-inhibitor complex, oxidoreductase/inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Cytoplasm: P16083
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 54100.10

構造登録者

Reddy, N.P.,Jensen, K.C.,Mesecar, A.D.,Fanwick, P.E.,Cushman, M. (登録日: 2011-12-05, 公開日: 2012-01-18, 最終更新日: 2024-05-22)

主引用文献

Reddy, P.V.,Jensen, K.C.,Mesecar, A.D.,Fanwick, P.E.,Cushman, M.
Design, synthesis, and biological evaluation of potent quinoline and pyrroloquinoline ammosamide analogues as inhibitors of quinone reductase 2.
J.Med.Chem., 55:367-377, 2012

PubMed Abstract: A variety of ammosamide B analogues have been synthesized and evaluated as inhibitors of quinone reductase 2 (QR2). The potencies of the resulting series of QR2 inhibitors range from 4.1 to 25,200 nM. The data provide insight into the structural parameters necessary for QR2 inhibitory activity. The natural product ammosamide B proved to be a potent QR2 inhibitor, and the potencies of the analogues generally decreased as their structures became more distinct from that of ammosamide B. Methylation of the 8-amino group of ammosamide B was an exception, resulting in an increase in quinone reductase 2 inhibitory activity from an IC(50) of 61 nM to IC(50) 4.1 nM.

PubMed: 22206487
DOI: 10.1021/jm201251c

実験手法

X-RAY DIFFRACTION (1.5 Å)