Application of in silico approaches to predicting drug–drug interactions

The Human Hepatic Cytochromes P450 Involved in Drug Metabolism

1992 • 932 citations

Pharmacophore perception, development, and use in drug design

2000 • 683 citations

The Logic Of Failure: Recognizing And Avoiding Error In Complex Situations

1997 • 668 citations

Inhibition of human cytochrome P450 enzymes by constituents of St. John's Wort, an herbal preparation used in the treatment of depression.

2000 • 400 citations

Progress in predicting human ADME parameters in silico

2000 • 266 citations

Present and future in vitro approaches for drug metabolism

2000 • 222 citations

Speculations on the Substrate Structure-Activity Relationship (SSAR) of cytochrome P450 enzymes

1992 • 203 citations

On the recognition of mammalian microsomal cytochrome P450 substrates and their characteristics

2000 • 157 citations

Novel Approach To Predicting P450-Mediated Drug Metabolism: Development of a Combined Protein and Pharmacophore Model for CYP2D6

1999 • 157 citations

Development of a pharmacophore for inhibition of human liver cytochrome P-450 2D6: molecular modeling and inhibition studies

1993 • 143 citations

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

1999 • 127 citations

Predicting the cytochrome P450 mediated metabolism of xenobiotics

1993 • 119 citations

Three- and four-dimensional quantitative structure activity relationship analyses of cytochrome P-450 3A4 inhibitors.

1999 • 119 citations

Three-dimensional-quantitative structure activity relationship analysis of cytochrome P-450 3A4 substrates.

1999 • 118 citations

Properties of cytochrome P450 isoenzymes and their substrates part 2: properties of cytochrome P450 substrates

1997 • 113 citations

The Substrate Binding Site of Human Liver Cytochrome P450 2C9: An Approach Using Designed Tienilic Acid Derivatives and Molecular Modeling

1995 • 111 citations

Quantitative Relationships Between Lipophilic Character and Drug Metabolism

1972 • 106 citations

Structural determinants of cytochrome P450 substrate specificity, binding affinity and catalytic rate

1998 • 95 citations

Three- and four-dimensional-quantitative structure activity relationship (3D/4D-QSAR) analyses of CYP2C9 inhibitors.

2000 • 95 citations

Three-dimensional quantitative structure activity relationship analyses of substrates for CYP2B6.

1999 • 93 citations

A Refined 3-Dimensional QSAR of Cytochrome P450 2C9: Computational Predictions of Drug Interactions

2000 • 89 citations

Properties of cytochrome P450 isoenzymes and their substrates Part 1: active site characteristics

1997 • 89 citations

Three-dimensional quantitative structure-activity relationship for inhibitors of cytochrome P4502C9.

1996 • 87 citations

Three and four dimensional-quantitative structure activity relationship (3D/4D-QSAR) analyses of CYP2D6 inhibitors.

1999 • 84 citations

Quinolone antibacterial agents: relationship between structure and in vitro inhibition of the human cytochrome P450 isoform CYP1A2.

1993 • 84 citations

Structural characteristics of human P450s involved in drug metabolism: QSARs and lipophilicity profiles

2000 • 74 citations

Quantitative Structure-Activity Relationships of Cytochrome P-450

1993 • 73 citations

USE OF HOMOLOGY MODELING IN CONJUNCTION WITH SITE-DIRECTED MUTAGENESIS FOR ANALYSIS OF STRUCTURE-FUNCTION RELATIONSHIPS OF MAMMALIAN CYTOCHROMES P450

1997 • 71 citations

Structure-activity correlations in the metabolism of drugs

1968 • 69 citations

Theoretical investigation of substrate specificity for cytochromes P450 IA2, P450 IID6 and P450 IIIA4.

2000 • 66 citations

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

1996 • 66 citations

Three-dimensional quantitative structure activity relationship computational approaches for prediction of human in vitro intrinsic clearance.

2000 • 57 citations

Molecular basis of P450 inhibition and activation: implications for drug development and drug therapy.

1998 • 56 citations

Modeling the cytochrome P450-mediated metabolism of chlorinated volatile organic compounds.

1996 • 55 citations

Quantitative Structure-Activity Relationships in Substrates, Inducers, and Inhibitors of Cytochrome P4501 (CYP1)

1997 • 55 citations

Molecular modelling and quantitative structure-activity relationship studies on the interaction of omeprazole with cytochrome P450 isozymes

1998 • 38 citations

Molecular modeling of mammalian cytochrome P450s

2000 • 33 citations

Qsar of P450 Oxidation: On the Value of Comparingk_catandK_mwithK_cat/K_m

1996 • 28 citations

Systematic screening for pharmacokinetic interactions during drug development.

1996 • 25 citations

Comparative Molecular Field Analysis of Compounds with CYP2A5 Binding Affinity

1995 • 18 citations

Molecular modeling of mammalian cytochromes P450: Application of study enzyme function

2000 • 18 citations