Structural insights into IKKβ inhibition by natural products staurosporine and quercetin

被引：12

作者：

Avila, Carolina M. ^{[1
,2
]}

Romeiro, Nelilma C. ^{[1
,4
]}

Sant'Anna, Carlos M. R. ^{[1
,3
]}

Barreiro, Eliezer J. ^{[1
,2
]}

Fraga, Carlos A. M. ^{[1
,2
]}

机构：

[1] Univ Fed Rio de Janeiro, LASSBio, Fac Farm, BR-21941902 Rio De Janeiro, Brazil

[2] Univ Fed Rio de Janeiro, Programa Posgrad Farmacol & Quim Med, Inst Ciencias Biomed, BR-21941902 Rio De Janeiro, Brazil

[3] Univ Fed Rural Rio de Janeiro, Dept Quim, ICE, BR-23851970 Seropedica, RJ, Brazil

[4] Univ Fed Rio de Janeiro, BR-27930560 Rio De Janeiro, Brazil

来源：

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS | 2009年 / 19卷 / 24期

关键词：

Staurosporine; Quercetin; IKKbeta; Serine threonine kinases; ATP binding-site inhibitors; Homology modeling; Molecular docking; Antiinflammatory drugs; NF-KAPPA-B; CRYSTAL-STRUCTURE; KINASE-BETA; ALPHA; ACTIVATION; COMPLEX; POTENT; MODEL; SHOW;

D O I：

10.1016/j.bmcl.2009.10.076

中图分类号：

R914 [药物化学];

学科分类号：

100705 [微生物与生化药学];

摘要：

This Letter describes the results of two combined approaches: homology modeling and molecular docking studies, in order to propose the molecular basis of IKK beta inhibition by staurosporine and quercetin as ATP-competitive inhibitors. The results provides a rationale and structural frameworks for designing potent ATP binding-site inhibitors of IKK beta, which is an attractive drug target for inflammatory diseases and has been found to be responsible for some of the already observed pharmacological effects for marketed drugs. (C) 2009 Elsevier Ltd. All rights reserved.

引用

页码：6907 / 6910

页数：4

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