Coupled electron and proton transfer in the piperidine drug metabolism pathway by the active species of cytochromes P450

Keyphrases

• Proton Transfer 100%
• Cytochrome P450 (CYP450) 100%
• Piperidine 100%
• Electron Transfer 100%
• Drug Metabolism 100%
• Active Species 100%
• Ring Contraction 100%
• Metabolic Pathways 100%
• Multistate Density Functional Theory 75%
• P450 50%
• Kohn-Sham Density Functional Theory 50%
• N-H Bond Activation 50%
• Pyrrolidine 25%
• Density Functional Theory 25%
• Proton 25%
• Radical Intermediates 25%
• Human Being 25%
• Tightly Coupled 25%
• Diabatic 25%
• Cytochrome P450 Enzymes 25%
• Proton-coupled Electron Transfer 25%
• Hydrogen Atom Transfer 25%
• Rate Limiting 25%
• Homolytic 25%
• Rational Drug Design 25%
• Hydroxyl 25%
• Chemical Nature 25%
• Product Formation 25%
• Barrier-free 25%
• C-C Bond Cleavage 25%
• Compound I 25%
• N-centered Radical 25%
• 2,2,6,6-tetramethylpiperidine 25%
• Crossing Point 25%
• Tautomerism 25%
• C-N Bond Formation 25%
• P450 Enzymes 25%
• First Application 25%
• Carbon-centered Radicals 25%
• Imine Intermediate 25%

Chemistry

• Proton Transfer 100%
• Piperidine 100%
• Cytochrome P450 100%
• Density Functional Theory 100%
• Ring Contraction 80%
• Chemistry 20%
• Hydroxyl 20%
• Tautomer 20%
• Tautomerization 20%
• Hydrogen Atom 20%
• formation 20%
• Imine 20%
• C-N bond formation 20%
• Pyrrolidine 20%

Pharmacology, Toxicology and Pharmaceutical Science

• Cytochrome P450 100%
• Drug Metabolism 100%
• Piperidine 100%
• Hydrogen Bond 40%
• Drug Development 20%
• Bond Cleavage 20%
• Piperidine Derivative 20%
• Pyrrolidine Derivative 20%
• Enzymes 20%
• Imine 20%
• Homo sapiens 20%