Quantitative structure-activity relationship studies on 5-phenyl-3-ureido-1,5-benzodiazepine as cholecystokinin-A receptor antagonists

被引：17
|
作者：
Agrawal, VK
Sharma, R
Khadikar, PV
机构：
[1] Laxmi Fumigat & Pest Control Pvt Ltd, Div Res, Indore 452007, India
[2] APS Univ, QSAR, Rewa 486003, India
[3] APS Univ, Comp Chem Labs, Dept Chem, Rewa 486003, India
来源：
BIOORGANIC & MEDICINAL CHEMISTRY | 2002年 / 10卷 / 11期
关键词：
D O I：
10.1016/S0968-0896(02)00167-0
中图分类号：
Q5 [生物化学]; Q7 [分子生物学];
学科分类号：
071010 ; 081704 ;
摘要：
Quantitative structure-activity relationship (QSAR) studies on a series of 5-phenyl-3-ureido-1,5-benzodiazepine-2,4-diones has been carried out using a pool of distance-based topological indices. Step-wise regression analysis indicated that pentaparametric regression expression containing Sz, B, Ip(1), Ip(2) and Ip(3) is the most potent and selective for CCK-A affinity. The predictive potential of the model is discussed on the basis of cross-validation parameters as well as by estimating root mean square (RMSR) of the residuals. (C) 2002 Elsevier Science Ltd. All rights reserved.
引用
收藏
页码：3571 / 3581
页数：11
相关论文
共 50 条
  • [1] Synthesis and SAR of new 5-phenyl-3-ureido-1,5-benzodiazepines as cholecystokinin-B receptor antagonists
    Ursini, A
    Capelli, AM
    Carr, RAE
    Cassarà, P
    Corsi, M
    Curcuruto, O
    Curotto, G
    Dal Cin, M
    Davalli, S
    Donati, D
    Feriani, A
    Finch, H
    Finizia, G
    Gaviraghi, G
    Marien, M
    Pentassuglia, G
    Polinelli, S
    Ratti, E
    Reggiani, A
    Tarzia, G
    Tedesco, G
    Tranquillini, ME
    Trist, DG
    Van Amsterdam, FTM
    JOURNAL OF MEDICINAL CHEMISTRY, 2000, 43 (20) : 3596 - 3613
  • [2] Quantitative structure-activity relationship studies on cholecystokinin antagonists
    Gupta, SP
    CURRENT PHARMACEUTICAL DESIGN, 2002, 8 (02) : 111 - 124
  • [3] 3-DIMENSIONAL MOLECULAR SHAPE ANALYSIS-QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP OF A SERIES OF CHOLECYSTOKININ-A RECEPTOR ANTAGONISTS
    TOKARSKI, JS
    HOPFINGER, AJ
    JOURNAL OF MEDICINAL CHEMISTRY, 1994, 37 (21) : 3639 - 3654
  • [4] Synthesis and SAR of new 5-phenyl-3-ureido-1,5-benzodiazepines as cholecystokinin-B receptor antagonists (vol 43, pg 3596, 2000)
    Ursini, A
    Capelli, AM
    Carr, RAE
    Cassarà, P
    Corsi, M
    Curcuruto, O
    Curotto, G
    Dal Cin, M
    Davalli, S
    Donati, D
    Feriani, A
    Finch, H
    Finizia, G
    Gaviraghi, G
    Marien, M
    Pentassuglia, G
    Polinelli, S
    Ratti, E
    Reggiani, A
    Tarzia, G
    Tedesco, G
    Tranquillini, ME
    Trist, DG
    Van Amsterdam, FTM
    JOURNAL OF MEDICINAL CHEMISTRY, 2000, 43 (26) : 5057 - 5057
  • [5] A quantitative structure-activity relationship study on some cholecystokinin antagonists
    Gupta, SP
    Mulchandani, V
    Das, S
    Subbiah, A
    Reddy, DN
    Sinha, J
    QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS, 1995, 14 (05): : 437 - 443
  • [6] Quantitative structure-activity relationship studies on some nonbenzodiazepines binding to benzodiazepine receptor
    Paleti, A
    Gupta, SP
    QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS, 1997, 16 (05): : 367 - 371
  • [7] Quantitative structure-activity relationship study on some nonpeptidal cholecystokinin antagonists
    Sinha, J
    Kurup, A
    Paleti, A
    Gupta, SP
    BIOORGANIC & MEDICINAL CHEMISTRY, 1999, 7 (06) : 1127 - 1130
  • [8] Synthesis and structure-activity relationship of new 1,5-dialkyl-1,5-benzodiazepines as cholecystokinin-2 receptor antagonists
    Roberts, Karen
    Ursini, Antonella
    Barnaby, Robert
    Cassara, Paolo G.
    Corsi, Mauro
    Curotto, Giovanni
    Donati, Daniele
    Feriani, Aldo
    Finizia, Gabriella
    Marchioro, Carla
    Niccolai, Daniela
    Oliosi, Beatrice
    Polinelli, Stefano
    Ratti, Emiliangelo
    Reggiani, Angelo
    Tedesco, Giovanna
    Tranquillini, Maria E.
    Trist, David G.
    van Amsterdam, Franciscus T. M.
    BIOORGANIC & MEDICINAL CHEMISTRY, 2011, 19 (14) : 4257 - 4273
  • [9] QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP STUDY OF BENZODIAZEPINE-RECEPTOR LIGANDS .3.
    SINGH, P
    OJHA, TN
    SHARMA, RC
    TIWARI, KS
    INDIAN JOURNAL OF CHEMISTRY SECTION B-ORGANIC CHEMISTRY INCLUDING MEDICINAL CHEMISTRY, 1993, 32 (05): : 555 - 561
  • [10] Quantitative structure-activity relationship studies of a series of non-benzodiazepine structural ligands binding to benzodiazepine receptor
    Xia, Binbin
    Ma, Weiping
    Zheng, Bo
    Zhang, Xiaoyun
    Fan, Botao
    EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2008, 43 (07) : 1489 - 1498
12345