Combined Three-Dimensional Quantitative Structure-Activity Relationship Analysis of Cytochrome P450 2B6 Substrates and Protein Homology Modeling

Qinmi Wang; James R. Halpert

doi:10.1124/dmd.30.1.86

Combined Three-Dimensional Quantitative Structure-Activity Relationship Analysis of Cytochrome P450 2B6 Substrates and Protein Homology Modeling

Drug Metabolism and Disposition ◽

10.1124/dmd.30.1.86 ◽

2002 ◽

Vol 30 (1) ◽

pp. 86-95 ◽

Cited By ~ 47

Author(s):

Qinmi Wang ◽

James R. Halpert

Keyword(s):

Cytochrome P450 ◽

Homology Modeling ◽

Three Dimensional ◽

Quantitative Structure Activity Relationship ◽

Activity Relationship ◽

Quantitative Structure ◽

Protein Homology ◽

Cytochrome P450 2B6 ◽

Relationship Analysis ◽

Structure Activity

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Competitive CYP2C9 Inhibitors: Enzyme Inhibition Studies, Protein Homology Modeling, and Three-Dimensional Quantitative Structure-Activity Relationship Analysis

Molecular Pharmacology ◽

10.1124/mol.59.4.909 ◽

2001 ◽

Vol 59 (4) ◽

pp. 909-919 ◽

Cited By ~ 58

Author(s):

Lovisa Afzelius ◽

Ismael Zamora ◽

Marianne Ridderström ◽

Tommy B. Andersson ◽

Anders Karlén ◽

...

Keyword(s):

Homology Modeling ◽

Enzyme Inhibition ◽

Three Dimensional ◽

Quantitative Structure Activity Relationship ◽

Activity Relationship ◽

Quantitative Structure ◽

Protein Homology ◽

Relationship Analysis ◽

Structure Activity ◽

Inhibition Studies

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Proposal of a New Binding Orientation for Non-Peptide AT1 Antagonists: Homology Modeling, Docking and Three-Dimensional Quantitative Structure−Activity Relationship Analysis

Journal of Medicinal Chemistry ◽

10.1021/jm060338p ◽

2006 ◽

Vol 49 (14) ◽

pp. 4305-4316 ◽

Cited By ~ 60

Author(s):

Tiziano Tuccinardi ◽

Vincenzo Calderone ◽

Simona Rapposelli ◽

Adriano Martinelli

Keyword(s):

Homology Modeling ◽

Three Dimensional ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Activity Relationship ◽

Quantitative Structure ◽

Relationship Analysis ◽

Structure Activity ◽

At1 Antagonists ◽

Binding Orientation

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New potent and selective cytochrome P450 2B6 (CYP2B6) inhibitors based on three-dimensional quantitative structure-activity relationship (3D-QSAR) analysis

British Journal of Pharmacology ◽

10.1038/sj.bjp.0707173 ◽

2007 ◽

Vol 150 (7) ◽

pp. 932-942 ◽

Cited By ~ 30

Author(s):

L E Korhonen ◽

M Turpeinen ◽

M Rahnasto ◽

C Wittekindt ◽

A Poso ◽

...

Keyword(s):

Cytochrome P450 ◽

Three Dimensional ◽

3D Qsar ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Activity Relationship ◽

Quantitative Structure ◽

Qsar Analysis ◽

Cytochrome P450 2B6 ◽

Structure Activity

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Antileishmanial Chalcones: Statistical Design, Synthesis, and Three-Dimensional Quantitative Structure−Activity Relationship Analysis

Journal of Medicinal Chemistry ◽

10.1021/jm980410m ◽

1998 ◽

Vol 41 (24) ◽

pp. 4819-4832 ◽

Cited By ~ 183

Author(s):

Simon Feldbæk Nielsen ◽

Søren Brøgger Christensen ◽

Gabriele Cruciani ◽

Arsalan Kharazmi ◽

Tommy Liljefors

Keyword(s):

Three Dimensional ◽

Statistical Design ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Activity Relationship ◽

Quantitative Structure ◽

Design Synthesis ◽

Relationship Analysis ◽

Structure Activity

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A quantitative structure-activity relationship analysis on a series of alkyl benzenes metabolized by human cytochrome P450 2E1

Journal of Biochemical and Molecular Toxicology ◽

10.1002/jbt.10055 ◽

2003 ◽

Vol 17 (1) ◽

pp. 47-52 ◽

Cited By ~ 14

Author(s):

David F. V. Lewis ◽

Craig Sams ◽

George D. Loizou

Keyword(s):

Cytochrome P450 ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Activity Relationship ◽

Cytochrome P450 2E1 ◽

Quantitative Structure ◽

Relationship Analysis ◽

Structure Activity ◽

Human Cytochrome ◽

Alkyl Benzenes

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ChemInform Abstract: Three-Dimensional Quantitative Structure-Activity Relationship Analysis of the New Potent Sulfonylureas Using Comparative Molecular Similarity Indices Analysis.

ChemInform ◽

10.1002/chin.200043228 ◽

2000 ◽

Vol 31 (43) ◽

pp. no-no

Author(s):

T. J. Hou ◽

Z. M. Li ◽

Z. Li ◽

J. Liu ◽

X. J. Xu

Keyword(s):

Molecular Similarity ◽

Three Dimensional ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Activity Relationship ◽

Quantitative Structure ◽

Relationship Analysis ◽

Structure Activity ◽

Similarity Indices

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Three-Dimensional Quantitative Structure−Activity Relationship Analysis of the New Potent Sulfonylureas Using Comparative Molecular Similarity Indices Analysis

Journal of Chemical Information and Computer Sciences ◽

10.1021/ci000323e ◽

2000 ◽

Vol 40 (4) ◽

pp. 1002-1009 ◽

Cited By ~ 14

Author(s):

T. J. Hou ◽

Z. M. Li ◽

Z. Li ◽

J. Liu ◽

X. J. Xu

Keyword(s):

Molecular Similarity ◽

Three Dimensional ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Activity Relationship ◽

Quantitative Structure ◽

Relationship Analysis ◽

Structure Activity ◽

Similarity Indices

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Structural Requirements for the Substrates of the H+/Peptide Cotransporter PEPT2 Determined by Three-Dimensional Quantitative Structure−Activity Relationship Analysis

Journal of Medicinal Chemistry ◽

10.1021/jm0601811 ◽

2006 ◽

Vol 49 (14) ◽

pp. 4286-4296 ◽

Cited By ~ 23

Author(s):

Annegret Biegel ◽

Sabine Gebauer ◽

Matthias Brandsch ◽

Klaus Neubert ◽

Iris Thondorf

Keyword(s):

Three Dimensional ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Activity Relationship ◽

Quantitative Structure ◽

Structural Requirements ◽

Relationship Analysis ◽

Structure Activity

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Three-dimensional quantitative structure activity relationship analysis of anilinoquinazolines for c-Src kinase inhibition

Medicinal Chemistry Research ◽

10.1007/s00044-010-9301-x ◽

2010 ◽

Vol 20 (2) ◽

pp. 158-167 ◽

Cited By ~ 2

Author(s):

Pratigya Silakari ◽

Savitri Devi Srivastava ◽

Dharam Veer Kohli ◽

Santosh Kumar Srivastava ◽

Gyati Silakari ◽

...

Keyword(s):

Three Dimensional ◽

Src Kinase ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Activity Relationship ◽

Quantitative Structure ◽

Kinase Inhibition ◽

Relationship Analysis ◽

Structure Activity

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Three-Dimensional Quantitative Structure-Activity Relationship Analysis of Human CYP51 Inhibitors

Drug Metabolism and Disposition ◽

10.1124/dmd.106.013888 ◽

2006 ◽

Vol 35 (3) ◽

pp. 493-500 ◽

Cited By ~ 13

Author(s):

Sean Ekins ◽

Dayna C. Mankowski ◽

Dennis J. Hoover ◽

Michael P. Lawton ◽

Judith L. Treadway ◽

...

Keyword(s):

Three Dimensional ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Activity Relationship ◽

Quantitative Structure ◽

Relationship Analysis ◽

Structure Activity

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