Scaffold-Hopping Cascade Yields Potent Inhibitors of 5-Lipoxygenase

被引：32

作者：

Hofmann, Bettina ^{[1
]}

Franke, Lutz ^{[1
]}

Proschak, Ewgenij ^{[1
]}

Tanrikulu, Yusuf ^{[1
]}

Schneider, Petra ^{[2
]}

Steinhilber, Dieter ^{[3
]}

Schneider, Gisbert ^{[1
]}

机构：

[1] Univ Frankfurt, Inst Organ Chem & Chem Biol, ZAFES CMP, D-60323 Frankfurt, Germany

[2] Schneider Consulting GbR, D-61440 Oberursel, Germany

[3] Univ Frankfurt, Inst Pharmaceut Chem, ZAFES, D-60438 Frankfurt, Germany

来源：

CHEMMEDCHEM | 2008年 / 3卷 / 10期

关键词：

bioisosters; cheminformatics; drug discovery; inflammation; virtual screening;

D O I：

10.1002/cmdc.200800153

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

(Chemical Equation Presented) A two-step iterative approach to virtual screening can identifypotent lead scaffolds as demonstrated for 5-lipoxygenase inhibition, a validated target for the treatment of inflammation and allergic reactions. Four cycles of virtual screening using both 3D- and 2D-based methods, and substructure searching were performed, and cell-based assays were used to further refine the lead selection at each stage of the process. © 2008 Wiley-VCH Verlag GmbH & Co. KGaA.

引用

页码：1535 / 1538

页数：4

共 50 条

[41] Conversion of cyclooxygenase inhibitors into hydroxythiazole 5-lipoxygenase inhibitors
Kerdesky, FAJ
Brooks, CDW
Hulkower, KI
Bouska, JB
Bell, RL
BIOORGANIC & MEDICINAL CHEMISTRY, 1997, 5 (02) : 393 - 396
[42] Novel imidazole compounds as a new series of potent, orally active inhibitors of 5-lipoxygenase
Mano, T
Stevens, RW
Ando, K
Nakao, K
Okumura, Y
Sakakibara, M
Okumura, T
Tamura, T
Miyamoto, K
BIOORGANIC & MEDICINAL CHEMISTRY, 2003, 11 (18) : 3879 - 3887
[43] METHOXYALKYL THIAZOLES - A NOVEL SERIES OF POTENT, ORALLY ACTIVE AND ENANTIOSELECTIVE INHIBITORS OF 5-LIPOXYGENASE
MCMILLAN, RM
BIRD, TGC
CRAWLEY, GC
EDWARDS, MP
GIRODEAU, JM
KINGSTON, JF
FOSTER, SJ
AGENTS AND ACTIONS, 1991, 34 (1-2): : 110 - 112
[44] Substituted indoles as potent and orally active 5-lipoxygenase activating protein (FLAP) inhibitors
Frenette, R
Hutchinson, JH
Léger, S
Thérien, M
Brideau, C
Chan, CC
Charleson, S
Ethier, D
Guay, J
Jones, TR
McAuliffe, M
Piechuta, H
Riendeau, D
Tagari, P
Girard, Y
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 1999, 9 (16) : 2391 - 2396
[45] Novel and potent inhibitors of 5-lipoxygenase product synthesis based on the structure of pirinixic acid
Werz, Oliver
Greiner, Christine
Koeberle, Andreas
Hoernig, Christina
George, Sven
Popescu, Laura
Syha, Ivollne
Schubert-Zsilavecz, Manfred
Steinhilber, Dieter
JOURNAL OF MEDICINAL CHEMISTRY, 2008, 51 (17) : 5449 - 5453
[46] Nonredox 5-lipoxygenase inhibitors require glutathione peroxidase for efficient inhibition of 5-lipoxygenase activity
Werz, O
Szellas, D
Henseler, M
Steinhilber, D
MOLECULAR PHARMACOLOGY, 1998, 54 (02) : 445 - 451
[47] HYDROXAMIC ACID INHIBITORS OF 5-LIPOXYGENASE .2. POTENT INHIBITORS DESIGNED WITH A SIMPLE BINDING MODEL
SUMMERS, JB
MAZDIYASNI, H
RATAJCZYK, JD
DYER, RD
CARTER, GW
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1986, 192 : 20 - MEDI
[48] GOSSYPOL, A POTENT INHIBITOR OF ARACHIDONATE 5-LIPOXYGENASE AND 12-LIPOXYGENASE
HAMASAKI, Y
TAI, HH
BIOCHIMICA ET BIOPHYSICA ACTA, 1985, 834 (01) : 37 - 41
[49] 4-THIAZOLIDINONES AS DUAL INHIBITORS OF FATTY-ACID CYCLOOXYGENASE AND 5-LIPOXYGENASE AND AS SELECTIVE 5-LIPOXYGENASE INHIBITORS
PHILLIPS, ML
SHADLE, JK
HO, PPK
BERTSCH, BA
WALTERS, CP
TOWNER, RD
WANG, LY
PANETTA, JA
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1988, 196 : 125 - MEDI
[50] 4-HYDROXYTHIAZOLE INHIBITORS OF 5-LIPOXYGENASE
KERDESKY, FAJ
HOLMS, JH
MOORE, JL
BELL, RL
DYER, RD
CARTER, GW
BROOKS, DW
JOURNAL OF MEDICINAL CHEMISTRY, 1991, 34 (07) : 2158 - 2165

← 1 2 3 4 5 →