Knowledge based prediction of ligand binding modes and rational inhibitor design for kinase drug discovery

被引：140

作者：

Ghose, Arup K. ^{[1
]}

Herbertz, Torsten ^{[1
]}

Pippin, Douglas A. ^{[1
]}

Salvino, Joseph M. ^{[1
]}

Mallamo, John P. ^{[1
]}

机构：

[1] Cephalon Inc, Dept Med Chem, W Chester, PA 19380 USA

来源：

JOURNAL OF MEDICINAL CHEMISTRY | 2008年 / 51卷 / 17期

关键词：

D O I：

10.1021/jm800475y

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

[No abstract available]

引用

页码：5149 / 5171

页数：23

共 74 条

[1] Receptor flexibility in de novo ligand design and docking [J].

Alberts, IL ;

Todorov, NP ;

Dean, PM .

JOURNAL OF MEDICINAL CHEMISTRY, 2005, 48 (21) :6585-6596

[2]

[Anonymous], MONOGRAPH EXPLORING

[3] 5-(1H-benzimidazol-1-yl)-3-alkoxy-2-thiophenecarbonitriles as potent, selective, inhibitors of IKK-ε kinase [J].

Bamborough, Paul ;

Christopher, John A. ;

Cutler, Geoffrey J. ;

Dickson, Marion C. ;

Mellor, Geoffrey W. ;

Morey, James V. ;

Patel, Champa B. ;

Shewchuk, Lisa M. .

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2006, 16 (24) :6236-6240

[4] Cyclin-dependent kinase 4 inhibitors as a treatment for cancer. Part 1: Identification and optimisation of substituted 4,6-bis anilino pyrimidines [J].

Beattie, JF ;

Breault, GA ;

Ellston, RPA ;

Green, S ;

Jewsbury, PJ ;

Midgley, CJ ;

Naven, RT ;

Minshull, CA ;

Pauptit, RA ;

Tucker, JA ;

Pease, JE .

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2003, 13 (18) :2955-2960

[5] Structural characterization of the GSK-3β active site using selective and non-selective ATP-mimetic inhibitors [J].

Bertrand, JA ;

Thieffine, S ;

Vulpetti, A ;

Cristiani, C ;

Valsasina, B ;

Knapp, S ;

Kalisz, HM ;

Flocco, M .

JOURNAL OF MOLECULAR BIOLOGY, 2003, 333 (02) :393-407

[6]

BLUMEJENSEN P, 2001, DRUG DISCOV TODAY, V10, P839

[7] A new paradigm for protein kinase inhibition: blocking phosphorylation without directly targeting ATP binding [J].

Bogoyevitch, Marie A. ;

Fairlie, David P. .

DRUG DISCOVERY TODAY, 2007, 12 (15-16) :622-633

[8] Structural analysis of protein kinase A mutants with Rho-kinase inhibitor specificity [J].

Bonn, Stefan ;

Herrero, Saturnino ;

Breitenlechner, Christine B. ;

Erlbruch, Andrea ;

Lehmann, Wolf ;

Engh, Richard A. ;

Gassel, Michael ;

Bossemeyer, Dirk .

JOURNAL OF BIOLOGICAL CHEMISTRY, 2006, 281 (34) :24818-24830

[9] Small molecule inhibitors of the MDM2-p53 interaction discovered by ensemble-based receptor models [J].

Bowman, Anna L. ;

Nikolovska-Coleska, Zaneta ;

Zhong, Haizhen ;

Wang, Shaomeng ;

Carlson, Heather A. .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2007, 129 (42) :12809-12814

[10] Effects of phosphorylation of threonine 160 on cyclin-dependent kinase 2 structure and activity [J].

Brown, NR ;

Noble, MEM ;

Lawrie, AM ;

Morris, MC ;

Tunnah, P ;

Divita, G ;

Johnson, LN ;

Endicott, JA .

JOURNAL OF BIOLOGICAL CHEMISTRY, 1999, 274 (13) :8746-8756

← 1 2 3 4 5 6 7 8 →