QSAR of cytochrome inhibitors

QSAR Studies of CYP2D6 Inhibitor Aryloxypropanolamines Using 2D and 3D Descriptors

(2009) Partha Pratim Roy et al.   Chemical Biology & Drug Design

Structural basis for androgen specificity and oestrogen synthesis in human aromatase

(2009) Debashis Ghosh et al.   NATURE

Inhibition and induction of human cytochrome P450 enzymes: current status

(2008) Olavi Pelkonen et al.   ARCHIVES OF TOXICOLOGY

CYP19 (aromatase): Exploring the scaffold flexibility for novel selective inhibitors

(2008) Sabrina Castellano et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Modeling and synthesis of novel tight-binding inhibitors of cytochrome P450 2C9

(2008) Chi-Chi Peng et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Insight into the effects of chiral isomers quinidine and quinine on CYP2D6 inhibition

(2008) Chunzhi Ai et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Comparative QSAR Studies of CYP1A2 Inhibitor Flavonoids Using 2D and 3D Descriptors

(2008) Kunal Roy et al.   Chemical Biology & Drug Design

Exploring QSARs for Binding Affinity of Azoles with CYP2B and CYP3A Enzymes Using GFA and G/PLS Techniques

(2008) Kunal Roy et al.   Chemical Biology & Drug Design

Classification of Cytochrome P450 1A2 Inhibitors and Noninhibitors by Machine Learning Techniques

(2008) P. Vasanthanathan et al.   DRUG METABOLISM AND DISPOSITION

Exploring QSAR and QAAR for inhibitors of cytochrome P450 2A6 and 2A5 enzymes using GFA and G/PLS techniques

(2008) Kunal Roy et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Comparative chemometric modeling of cytochrome 3A4 inhibitory activity of structurally diverse compounds using stepwise MLR, FA-MLR, PLS, GFA, G/PLS and ANN techniques

(2008) Kunal Roy et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Regioselectivity Prediction of CYP1A2-Mediated Phase I Metabolism

(2008) Jihoon Jung et al.   Journal of Chemical Information and Modeling

Conceptual DFT properties-based 3D QSAR: Analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme

(2008) Sofie Van Damme et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Considerations and recent advances in QSAR models for cytochrome P450-mediated drug metabolism prediction

(2008) Haiyan Li et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Pharmacophore mapping of flavone derivatives for aromatase inhibition

(2008) Shuchi Nagar et al.   MOLECULAR DIVERSITY

Development of a New Predictive Model for Interactions with Human Cytochrome P450 2A6 Using Pharmacophore Ensemble/Support Vector Machine (PhE/SVM) Approach

(2008) Max K. Leong et al.   PHARMACEUTICAL RESEARCH

Cytochrome P450 and Chemical Toxicology

(2007) F. Peter Guengerich   CHEMICAL RESEARCH IN TOXICOLOGY

Analysis of CYP2D6 substrate interactions by computational methods

(2007) Yuko Ito et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

On Some Aspects of Variable Selection for Partial Least Squares Regression Models

(2007) Partha Pratim Roy et al.   Quantitative structure-activity relationships & combinatorial science