A pharmacophore model for PDE IV inhibitors

被引：10
作者：
Polymeropoulos, EE
Hofgen, N
机构：
[1] Department of Chemical Research, Corporate R and D, ASTA Medica Group, D-60314, Frankfurt
来源：
QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS | 1997年 / 16卷 / 03期
关键词：
PDE IV Inhibitors; asthma; pharmacophore; rolipram analogs; xanthine analogs; nitraquazone analogs; GRID calculations; molecular modelling;
D O I：
10.1002/qsar.19970160307
中图分类号：
R914 [药物化学];
学科分类号：
100701 ;
摘要：
Based on conformational analysis and GRID-contour calculations we developed a common primary pharmacophore for rolipram analog, nitraquazone and xanthine derivative PDE IV inhibitors. In spite of the structural differences exhibited by the three substance classes we could provide evidence that they share common hydrogen bonding and lipophilic enzyme binding sites.
引用
收藏
页码：231 / 234
页数：4
相关论文
共 17 条
  • [1] BARNETTE MS, 1995, Patent No. 139
  • [2] THE CRYSTAL-STRUCTURE, ABSOLUTE-CONFIGURATION, AND PHOSPHODIESTERASE INHIBITORY ACTIVITY OF (+)-1-(4-BROMOBENZYL)-4-(3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL)-PYRROLIDIN-2-ONE
    BAURES, PW
    EGGLESTON, DS
    ERHARD, KF
    CIESLINSKI, LB
    TORPHY, TJ
    CHRISTENSEN, SB
    [J]. JOURNAL OF MEDICINAL CHEMISTRY, 1993, 36 (22) : 3274 - 3277
  • [3] DESIGN AND SYNTHESIS OF CONFORMATIONALLY CONSTRAINED ANALOGS OF 4-(3-BUTOXY-4-METHOXYBENZYL)IMIDAZOLIDIN-2-ONE (RO-20-1724) AS POTENT INHIBITORS OF CAMP-SPECIFIC PHOSPHODIESTERASE
    BRACKEEN, MF
    COWAN, DJ
    STAFFORD, JA
    SCHOENEN, FJ
    VEAL, JM
    DOMANICO, PL
    ROSE, D
    STRICKLAND, AB
    VERGHESE, M
    FELDMAN, PL
    [J]. JOURNAL OF MEDICINAL CHEMISTRY, 1995, 38 (24) : 4848 - 4854
  • [4] BRICKMANN J, 1991, INFORMATIONSTECHNIK, V2, P83
  • [5] INHIBITION OF CYCLIC-NUCLEOTIDE PHOSPHODIESTERASE BY DERIVATIVES OF 1,3-BIS(CYCLOPROPYLMETHYL)XANTHINE
    BUCKLE, DR
    ARCH, JRS
    CONOLLY, BJ
    FENWICK, AE
    FOSTER, KA
    MURRAY, KJ
    READSHAW, SA
    SMALLRIDGE, M
    SMITH, DG
    [J]. JOURNAL OF MEDICINAL CHEMISTRY, 1994, 37 (04) : 476 - 485
  • [6] CAVALLA D, 1995, CURR MED CHEM, V2, P561
  • [7] Biarylcarboxylic acids and -amides: Inhibition of phosphodiesterase type IV versus [H-3]rolipram binding activity and their relationship to emetic behavior in the ferret
    Duplantier, AJ
    Biggers, MS
    Chambers, RJ
    Cheng, JB
    Cooper, K
    Damon, DB
    Eggler, JF
    Kraus, KG
    Marfat, A
    Masamune, H
    Pillar, JS
    Shirley, JT
    Umland, JP
    Watson, JW
    [J]. JOURNAL OF MEDICINAL CHEMISTRY, 1996, 39 (01) : 120 - 125
  • [8] A COMPUTATIONAL-PROCEDURE FOR DETERMINING ENERGETICALLY FAVORABLE BINDING-SITES ON BIOLOGICALLY IMPORTANT MACROMOLECULES
    GOODFORD, PJ
    [J]. JOURNAL OF MEDICINAL CHEMISTRY, 1985, 28 (07) : 849 - 857
  • [9] INHIBITION OF CYCLIC ADENOSINE-3',5'-MONOPHOSPHATE PHOSPHODIESTERASE FROM VASCULAR SMOOTH-MUSCLE BY ROLIPRAM ANALOGS
    MARIVET, MC
    BOURGUIGNON, JJ
    LUGNIER, C
    MANN, A
    STOCLET, JC
    WERMUTH, CG
    [J]. JOURNAL OF MEDICINAL CHEMISTRY, 1989, 32 (07) : 1450 - 1457
  • [10] PALACIOS JM, 1995, IL FARMACO, V50, P819
12