3NW2

Novel nanomolar Imidazopyridines as selective Nitric Oxide Synthase (iNOS) inhibitors: SAR and structural insights

3NW2 の概要

• エントリーDOI: 10.2210/pdb3nw2/pdb
• 関連するPDBエントリー: 1NOD
• 分子名称: Nitric oxide synthase, inducible, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ... (6 entities in total)
• 機能のキーワード: calmodulin-binding, fad, fmn, iron, metal-binding, nadp, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• 由来する生物種: Mus musculus (mouse)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 100317.49

構造登録者

Graedler, U.,Fuchss, T.,Ulrich, W.R.,Boer, R.,Strub, A.,Hesslinger, C.,Anezo, C.,Diederichs, K.,Zaliani, A. (登録日: 2010-07-09, 公開日: 2011-06-22, 最終更新日: 2024-10-30)

主引用文献

Graedler, U.,Fuchss, T.,Ulrich, W.R.,Boer, R.,Strub, A.,Hesslinger, C.,Anezo, C.,Diederichs, K.,Zaliani, A.
Novel nanomolar imidazo[4,5-b]pyridines as selective nitric oxide synthase (iNOS) inhibitors: SAR and structural insights
Bioorg.Med.Chem.Lett., 21:4228-4232, 2011

PubMed Abstract: Inducible arginine oxidation and subsequent NO production by correspondent synthase (iNOS) are important cellular answers to proinflammatory signals. Prolonged NO production has been proved in higher organisms to cause stroke or septic shock. Several classes of potent NOS inhibitors have been reported, most of them targeting the arginine binding site of the oxygenase domain. Here we disclose the SAR and the rational design of potent and selective iNOS inhibitors which may be useful as anti-inflammatory drugs.

PubMed: 21684157
DOI: 10.1016/j.bmcl.2011.05.073

実験手法

X-RAY DIFFRACTION (2.8 Å)