Molecular design based on 3D-pharmacophore. Application to 5-HT subtypes receptors

被引：23
作者：
Bureau, R [1 ]
Daveu, C [1 ]
Lancelot, JC [1 ]
Rault, S [1 ]
机构：
[1] Univ Caen, Ctr Etud & Rech Medicament Normandie, F-14032 Caen, France
来源：
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 2002年 / 42卷 / 02期
关键词：
D O I：
10.1021/ci0101004
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
A first definition of a pharmacophore for the serotonin reuptake inhibitors was carried out by considering a three-dimensional model which correlates the chemical structures of series of reuptake inhibitors with their biological affinities. A molecular design was described by analyzing two different 3D serotonin pharmacophores. This successful approach enabled us to consider the design of new serotonin ligands by the same method.
引用
收藏
页码：429 / 436
页数：8
相关论文
共 23 条
  • [1] *ACCELRYS, 2001, CATALYST VERS 4 5 SO
  • [2] *ACCELRYS, 2001, CERIUS2 VERS 4 5 SOF
  • [3] First tricyclic oximino derivatives as 5-HT3 ligands
    Baglin, I
    Daveu, C
    Lancelot, JC
    Bureau, R
    Dauphin, F
    Pfeiffer, B
    Renard, P
    Delagrange, P
    Rault, S
    [J]. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2001, 11 (04) : 453 - 457
  • [4] CHARMM - A PROGRAM FOR MACROMOLECULAR ENERGY, MINIMIZATION, AND DYNAMICS CALCULATIONS
    BROOKS, BR
    BRUCCOLERI, RE
    OLAFSON, BD
    STATES, DJ
    SWAMINATHAN, S
    KARPLUS, M
    [J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 1983, 4 (02) : 187 - 217
  • [5] Definition of a pharmacophore for partial agonists of serotonin 5-HT3 receptors
    Daveu, C
    Bureau, R
    Baglin, I
    Prunier, H
    Lancelot, JC
    Rault, S
    [J]. JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1999, 39 (02): : 362 - 369
  • [6] Fisher R, 1966, DESIGN EXPT
  • [7] Gund P., 1977, PROG MOL SUBCELL BIO, V5, P117, DOI 10.1007/978-3-642-66626-1_4.
  • [8] GUND P, 1979, ANNU REP MED CHEM, V14, P299
  • [9] GUNER OF, 2000, BIOTECHNOLOGY SERIES, P504
  • [10] Novel conformationally constrained tropane analogues by 6-endo-trig radical cyclization and Stille coupling -: Switch of activity toward the serotonin and/or norepinephrine transporter
    Hoepping, A
    Johnson, KM
    George, C
    Flippen-Anderson, J
    Kozikowski, AP
    [J]. JOURNAL OF MEDICINAL CHEMISTRY, 2000, 43 (10) : 2064 - 2071
123