3H0E

3,4-Dihydropyrimido(1,2-a)indol-10(2H)-ones as Potent Non-Peptidic Inhibitors of Caspase-3

3H0E の概要

• エントリーDOI: 10.2210/pdb3h0e/pdb
• 関連するPDBエントリー: 1CP3
• 分子名称: Caspase-3, (10S)-3,3-dimethyl-8-{[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl}-2,3,4,10-tetrahydropyrimido[1,2-a]indol-10-ol (3 entities in total)
• 機能のキーワード: caspase-3, protein-inhibitor complex, apoptosis, cytoplasm, hydrolase, phosphoprotein, polymorphism, protease, s-nitrosylation, thiol protease, zymogen
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Cytoplasm: P42574
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 59633.93

構造登録者

Xu, W. (登録日: 2009-04-09, 公開日: 2009-11-17, 最終更新日: 2024-11-06)

主引用文献

Havran, L.M.,Chong, D.C.,Childers, W.E.,Dollings, P.J.,Dietrich, A.,Harrison, B.L.,Marathias, V.,Tawa, G.,Aulabaugh, A.,Cowling, R.,Kapoor, B.,Xu, W.,Mosyak, L.,Moy, F.,Hum, W.T.,Wood, A.,Robichaud, A.J.
3,4-Dihydropyrimido(1,2-a)indol-10(2H)-ones as potent non-peptidic inhibitors of caspase-3
Bioorg.Med.Chem., 17:7755-7768, 2009

PubMed Abstract: Cysteine-dependant aspartyl protease (caspase) activation has been implicated as a part of the signal transduction pathway leading to apoptosis. It has been postulated that caspase-3 inhibition could attenuate cell damage after an ischemic event and thereby providing for a novel neuroprotective treatment for stroke. As part of a program to develop a small molecule inhibitor of caspase-3, a novel series of 3,4-dihydropyrimido(1,2-a)indol-10(2H)-ones (pyrimidoindolones) was identified. The synthesis, biological evaluation and structure-activity relationships of the pyrimidoindolones are described.

PubMed: 19836248
DOI: 10.1016/j.bmc.2009.09.036

実験手法

X-RAY DIFFRACTION (1.997 Å)