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Literature DB >> 12489687

New methods in predictive metabolism.

Scott Boyer¹, Ismael Zamora.

Abstract

Mesh：

Year: 2002 PMID： 12489687 DOI： 10.1023/a:1020881520931

Source DB: PubMed Journal: J Comput Aided Mol Des ISSN： 0920-654X Impact factor: 3.686

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11 in total

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

Authors: L Afzelius; I Zamora; M Ridderström; T B Andersson; A Karlén; C M Masimirembwa
Journal: Mol Pharmacol Date: 2001-04 Impact factor: 4.436

Review 2. Systematic LC/MS metabolite identification in drug discovery.

Authors: N J Clarke; D Rindgen; W A Korfmacher; K A Cox
Journal: Anal Chem Date: 2001-08-01 Impact factor: 6.986

3. GRid-INdependent descriptors (GRIND): a novel class of alignment-independent three-dimensional molecular descriptors.

Authors: M Pastor; G Cruciani; I McLay; S Pickett; S Clementi
Journal: J Med Chem Date: 2000-08-24 Impact factor: 7.446

4. Predicting the rates and regioselectivity of reactions mediated by the P450 superfamily.

Authors: J P Jones; K R Korzekwa
Journal: Methods Enzymol Date: 1996 Impact factor: 1.600

5. A computational procedure for determining energetically favorable binding sites on biologically important macromolecules.

Authors: P J Goodford
Journal: J Med Chem Date: 1985-07 Impact factor: 7.446

6. META. 2. A dictionary model of mammalian xenobiotic metabolism.

Authors: J Talafous; L M Sayre; J J Mieyal; G Klopman
Journal: J Chem Inf Comput Sci Date: 1994 Nov-Dec

7. Putative active site template model for cytochrome P4502C9 (tolbutamide hydroxylase).

Authors: B C Jones; G Hawksworth; V A Horne; A Newlands; J Morsman; M S Tute; D A Smith
Journal: Drug Metab Dispos Date: 1996-02 Impact factor: 3.922

8. Analysis of selective regions in the active sites of human cytochromes P450, 2C8, 2C9, 2C18, and 2C19 homology models using GRID/CPCA.

Authors: M Ridderström; I Zamora; O Fjellström; T B Andersson
Journal: J Med Chem Date: 2001-11-22 Impact factor: 7.446

9. 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.

Authors: M J de Groot; M J Ackland; V A Horne; A A Alex; B C Jones
Journal: J Med Chem Date: 1999-10-07 Impact factor: 7.446

10. Mammalian microsomal cytochrome P450 monooxygenase: structural adaptations for membrane binding and functional diversity.

Authors: P A Williams; J Cosme; V Sridhar; E F Johnson; D E McRee
Journal: Mol Cell Date: 2000-01 Impact factor: 17.970

12 in total

1. Exploration of the binding of curcumin analogues to human P450 2C9 based on docking and molecular dynamics simulation.

Authors: Rongwei Shi; Yin Wang; Xiaolei Zhu; Xiaohua Lu
Journal: J Mol Model Date: 2011-11-12 Impact factor: 1.810

2. Evaluation of descriptors and classification schemes to predict cytochrome substrates in terms of chemical information.

Authors: John H Block; Douglas R Henry
Journal: J Comput Aided Mol Des Date: 2008-01-23 Impact factor: 3.686

3. Structure-metabolism-relationships in the microsomal clearance of piperazin-1-ylpyridazines.

Authors: Sabin Llona-Minguez; Artin Ghassemian; Pawel Baranczewski; Matthieu Desroses; Tobias Koolmeister; Per Artursson; Martin Scobie; Thomas Helleday
Journal: Medchemcomm Date: 2017-07-04 Impact factor: 3.597

4. Site of metabolism prediction on cytochrome P450 2C9: a knowledge-based docking approach.

Authors: Akos Tarcsay; Róbert Kiss; György M Keseru
Journal: J Comput Aided Mol Des Date: 2010-04-02 Impact factor: 3.686

Review 5. Molecular characterization of CYP2B6 substrates.

Authors: Sean Ekins; Manisha Iyer; Matthew D Krasowski; Evan D Kharasch
Journal: Curr Drug Metab Date: 2008-06 Impact factor: 3.731

6. Computational tools and resources for metabolism-related property predictions. 1. Overview of publicly available (free and commercial) databases and software.

Authors: Megan L Peach; Alexey V Zakharov; Ruifeng Liu; Angelo Pugliese; Gregory Tawa; Anders Wallqvist; Marc C Nicklaus
Journal: Future Med Chem Date: 2012-10 Impact factor: 3.808

7. Use of historic metabolic biotransformation data as a means of anticipating metabolic sites using MetaPrint2D and Bioclipse.

Authors: Lars Carlsson; Ola Spjuth; Samuel Adams; Robert C Glen; Scott Boyer
Journal: BMC Bioinformatics Date: 2010-07-01 Impact factor: 3.169