Structure-activity relationships of cholinesterase inhibitors. I. Quantum mechanical study of affinities of phenyl N-methyl carbamates

Keyphrases

• Phenyl 100%
• Structure-activity Relationship 100%
• Acetylcholinesterase Inhibitors (AChEI) 100%
• Carbamate Derivatives 100%
• Quantum Mechanical Study 100%
• Phenylcarbamate 100%
• Orbital Calculations 100%
• Electrostatic Potential 50%
• Active Sites 50%
• Electrostatic Interaction 50%
• Low Energy 50%
• Perturbative 50%
• Molecular Orbital 50%
• Configuration Interaction 50%
• Phenyl Ring 50%
• Affinity Constant 50%
• Self-consistent Field 50%
• Localized Orbitals 50%
• Linear Combination of Atomic Orbitals 50%
• Energy Commons 50%
• Active Site Conformation 50%

Chemistry

• Structure-Activity Relationship 100%
• Cholinesterase Inhibitor 100%
• Methyl Carbamate 100%
• Electrostatic Potential 50%
• Kd 50%
• Electrostatic Interaction 50%
• Carbamates 50%
• Molecular Orbital 50%
• Configuration Interaction 50%
• LCAO Calculation 50%