New methods in predictive metabolism

被引：46

作者：

Boyer, S ^{[1
]}

Zamora, I

机构：

[1] AstraZeneca R&D, S-43183 Molndal, Sweden

[2] Lead Mol Design sl, Barcelona 08190, Spain

来源：

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN | 2002年 / 16卷 / 5-6期

关键词：

D O I：

10.1023/A:1020881520931

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：

[No abstract available]

引用

页码：403 / 413

页数：11

共 18 条

[1] Competitive CYP2C9 inhibitors:: Enzyme inhibition studies, protein homology modeling, and three-dimensional quantitative structure-activity relationship analysis [J].

Afzelius, L ;

Zamora, I ;

Ridderström, M ;

Andersson, TB ;

Karlén, A ;

Masimirembwa, CM .

MOLECULAR PHARMACOLOGY, 2001, 59 (04) :909-919

[2]

Amat L, 1999, J COMPUT CHEM, V20, P911, DOI 10.1002/(SICI)1096-987X(19990715)20:9<911::AID-JCC2>3.0.CO

[3]

2-O

[4] Systematic LC/MS metabolite identification in drug discovery [J].

Clarke, N ;

Rindgen, D ;

Korfmacher, W ;

Cox, K .

ANALYTICAL CHEMISTRY, 2001, 73 (15) :430A-439A

[5] PREDICTING METABOLIC PATHWAYS BY LOGIC PROGRAMMING [J].

DARVAS, F .

JOURNAL OF MOLECULAR GRAPHICS, 1988, 6 (02) :80-86

[6] A novel approach to predicting P450 mediated drug metabolism. CYP2D6 catalyzed N-dealkylation reactions and qualitative metabolite predictions using a combined protein and pharmacophore model for CYP2D6 [J].

de Groot, MJ ;

Ackland, MJ ;

Horne, VA ;

Alex, AA ;

Jones, BC .

JOURNAL OF MEDICINAL CHEMISTRY, 1999, 42 (20) :4062-4070

[7] A COMPUTATIONAL-PROCEDURE FOR DETERMINING ENERGETICALLY FAVORABLE BINDING-SITES ON BIOLOGICALLY IMPORTANT MACROMOLECULES [J].

GOODFORD, PJ .

JOURNAL OF MEDICINAL CHEMISTRY, 1985, 28 (07) :849-857

[8]

GREENE N, 1999, DRUG METABOLISM DATA, P289

[9]

Jones BC, 1996, DRUG METAB DISPOS, V24, P260

[10] Predicting the rates and regioselectivity of reactions mediated by the P450 superfamily [J].

Jones, JP ;

Korzekwa, KR .

CYTOCHROME P450, PT B, 1996, 272 :326-335

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