QSAR studies on some antimalarial sulfonamides

被引:56
作者
Agrawal, VK
Srivastava, R
Khadikar, PV [1 ]
机构
[1] Laxmi Pest & Fumigat Pvt Ltd, Div Res, Indore 452007, India
[2] APS Univ, Dept Chem, Rewa 486003, India
关键词
D O I
10.1016/S0968-0896(01)00241-3
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
Antimalarial activity of a series of sulfonamide derivatives (2,4-diamino-6-quinazoline sulfonamides) was modeled topologically using Wiener (W)-, and Szeged (Sz)-indices. The regression analysis of the data has shown that better results are obtained in multiparametric regressions upon introduction of indicator parameters. Predicting ability of the models was tested by r(cv)(2) values. It was observed that models based on W index gave slightly better results than those in which Sz is involved. (C) 2001 Elsevier Science Ltd. All rights reserved.
引用
收藏
页码:3287 / 3293
页数:7
相关论文
共 22 条
[1]  
[Anonymous], 1989, INTRO THEORY BENZENO
[2]  
[Anonymous], 1983, CHEM GRAPH THEORY
[3]  
BALABAN AT, 1983, STERIC EFFECTS DRUG
[4]  
Chatterjee S., 2015, Regression analysis by example john wiley sons
[5]   DETECTION OF INFLUENTIAL OBSERVATION IN LINEAR-REGRESSION [J].
COOK, RD .
TECHNOMETRICS, 1977, 19 (01) :15-18
[6]  
DURBIN J, 1951, BIOMETRIKA, V38, P159, DOI 10.2307/2332325
[7]   ANTIMALARIAL-DRUGS .57. FOLATE ANTAGONISTS .22. ANTIMALARIAL AND ANTIBACTERIAL EFFECTS OF 2,4-DIAMINO-6-QUINAZOLINESULFONAMIDES [J].
ELSLAGER, EF ;
COLBRY, NL ;
DAVOLL, J ;
HUTT, MP ;
JOHNSON, JL ;
WERBEL, LM .
JOURNAL OF MEDICINAL CHEMISTRY, 1984, 27 (12) :1740-1743
[8]  
GUTMAN I, 1993, INDIAN J CHEM A, V32, P651
[9]  
Gutman I., 1994, GRAPH THEORY NOTES N, V27, P9
[10]   THE SZEGED INDEX AND AN ANALOGY WITH THE WIENER INDEX [J].
KHADIKAR, PV ;
DESHPANDE, NV ;
KALE, PP ;
DOBRYNIN, A ;
GUTMAN, I ;
DOMOTOR, G .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1995, 35 (03) :547-550