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

页码：3571 / 3581

页数：11

共 36 条

[1] QSAR study on binding affinity of PATs (rodenticides) to the [3H]-mepyramine-labelled H1 receptor in rat and guinea pig brain [J].