Quantum Mechanics/Molecular Mechanics Modeling of Regioselectivity of Drug Metabolism in Cytochrome P450 2C9

Chemistry

• Metabolite 100%
• Pharmacological Metabolism 80%
• Protein 60%
• Oxidation Reaction 60%
• Reaction Selectivity 60%
• Diclofenac 60%
• Procedure 40%
• Iron 40%
• Reactivity 40%
• Reaction Activation Energy 40%
• Ibuprofen 40%
• Cytochrome P450 40%
• Concentration 20%
• Potential 20%
• Gas 20%
• Sampling 20%
• Metabolic 20%
• Regioselectivity 20%
• Quantum Mechanics 20%
• Transition State 20%
• DFT-B3LYP Calculation 20%
• Warfarin 20%
• (S)-Warfarin 20%

Biochemistry, Genetics and Molecular Biology

• Protein 60%
• Alpha Oxidation 60%
• Drug Metabolism 60%
• CYP2C9 60%
• Energy 40%
• Lysozyme 40%
• Cytochrome P450 40%
• Aptitude 20%
• Position 20%
• Sampling 20%
• Electric Potential 20%
• Experiment 20%
• Species 20%
• Active Site 20%
• Dispersion 20%
• Gas 20%
• Isoform 20%
• Introspection 20%
• Metabolic Pathway 20%
• Quantum Mechanics 20%
• Regioselectivity 20%

Pharmacology, Toxicology and Pharmaceutical Science

• Cytochrome P450 100%
• CYP2C9 80%
• Enzyme 60%
• Protein 60%
• Drug Metabolism 60%
• Diclofenac 60%
• Drug 40%
• Warfarin 40%
• Ibuprofen 40%
• Absence 20%
• Iron 20%
• Adverse Drug Reaction 20%