Chem-bioinformatics and QSAR: A review of QSAR lacking positive hydrophobic terms

被引：226

作者：

Hansch, C ^{[1
]}

Kurup, A

Garg, R

Gao, H

机构：

[1] Pomona Coll, Dept Chem, Claremont, CA 91711 USA

[2] Pharmacia & Upjohn Inc, Kalamazoo, MI 49001 USA

来源：

CHEMICAL REVIEWS | 2001年 / 101卷 / 03期

关键词：

D O I：

10.1021/cr0000067

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The issues related to the lack of positive hydrophobic terms in quantitative structure-activity relationships (QSAR) were presented. The chemical-biological interactions were studied using QSAR and bioinformatics. Mutagenicity and cancer where QSAR included electronic terms but lacked hydrophobic terms were investigated.

引用

收藏

页码：619 / 672

页数：54

相关论文

共 164 条

[1] Crystal structure of the topoisomerase II poison 9-amino-[N-(2-dimethylamino)ethyl]acridine-4-carboxamide bound to the DNA hexanucleotide d(CGTACG)2 [J].

Adams, A ;

Guss, JM ;

Collyer, CA ;

Denny, WA ;

Wakelin, LPG .

BIOCHEMISTRY, 1999, 38 (29) :9221-9233

[2] KINETICS AND MECHANISM OF THE OXIDATION OF ORGANIC SULFIDES BY N-CHLOROACETAMIDE [J].

AGARWAL, A ;

BHATT, P ;

BANERJI, KK .

JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 1990, 3 (03) :174-180

[3] THE INHIBITION OF ERYTHROCYTE CHOLINESTERASE BY TRI-ESTERS OF PHOSPHORIC ACID .1. DIETHYL P-NITROPHENYL PHOSPHATE (E600) AND ANALOGUES [J].

ALDRIDGE, WN ;

DAVISON, AN .

BIOCHEMICAL JOURNAL, 1952, 51 (01) :62-70

[4] Design, synthesis, and biological evaluation of potent thiazine- and thiazepine-based matrix metalloproteinase inhibitors [J].

Almstead, NG ;

Bradley, RS ;

Pikul, S ;

De, B ;

Natchus, MG ;

Taiwo, YO ;

Gu, F ;

Williams, LE ;

Hynd, BA ;

Janusz, MJ ;

Dunaway, CM ;

Mieling, GE .

JOURNAL OF MEDICINAL CHEMISTRY, 1999, 42 (22) :4547-4562

[5] DIARYL TELLURIDES AS INHIBITORS OF LIPID-PEROXIDATION IN BIOLOGICAL AND CHEMICAL-SYSTEMS [J].

ANDERSSON, CM ;

BRATTSAND, R ;

HALLBERG, A ;

ENGMAN, L ;

PERSSON, J ;

MOLDEUS, P ;

COTGREAVE, I .

FREE RADICAL RESEARCH, 1994, 20 (06) :401-410

[6]

ANDRYSOVA O, 1972, PHYSIOL BOHEMOSLOV, V21, P63

[7]

ARUNA K, 1995, INDIAN J CHEM A, V34, P822

[8]

ASADAWA EM, 1994, INT J CANCER, V56, P146

[9] POTENTIAL ANTITUMOR AGENTS .47. 3'-METHYLAMINO ANALOGS OF AMSACRINE WITH INVIVO SOLID TUMOR-ACTIVITY [J].

ATWELL, GJ ;

BAGULEY, BC ;

FINLAY, GJ ;

REWCASTLE, GW ;

DENNY, WA .

JOURNAL OF MEDICINAL CHEMISTRY, 1986, 29 (09) :1769-1776

[10] POTENTIAL ANTI-TUMOR AGENTS .34. QUANTITATIVE RELATIONSHIPS BETWEEN DNA-BINDING AND MOLECULAR-STRUCTURE FOR 9-ANILINOACRIDINES SUBSTITUTED IN THE ANILINO RING [J].

BAGULEY, BC ;

DENNY, WA ;

ATWELL, GJ ;

CAIN, BF .

JOURNAL OF MEDICINAL CHEMISTRY, 1981, 24 (02) :170-177

← 1 2 3 4 5 6 7 8 9 10 →