Menthol Binding to the Human α4β2 Nicotinic Acetylcholine Receptor Facilitated by Its Strong Partitioning in the Membrane

Keyphrases

• Menthol 100%
• Nicotinic Acetylcholine Receptor (nAChR) 100%
• Lipid Bilayer 18%
• Binding Mode 18%
• 1,3-Dioleoyl-2-palmitoylglycerol 18%
• Flood Forecasting 18%
• Lipid Transfer Protein 9%
• Penetration Depth 9%
• Membrane Partitioning 9%
• Free Energy Perturbation 9%
• Preferred Orientation 9%
• Free Energy Profile 9%
• Octanol 9%
• Protein-protein Interface 9%
• Computational Methodology 9%
• Solvation Free Energy 9%
• Umbrella Sampling 9%
• Alchemical Free Energy 9%
• Force Field Parameters 9%
• Ion Permeation 9%
• Dodecane 9%
• Organic Phase 9%
• Docking Simulation 9%
• Waterproofing Membrane 9%

Chemistry

• Acetylcholine 100%
• Free Energy 60%
• 1-Oleoyl-2-Palmitoyl-Sn-Glycero-3-Phosphocholine 40%
• Solvation 20%
• Dodecane 20%
• Octanol 20%

Pharmacology, Toxicology and Pharmaceutical Science

• Nicotinic Receptor 100%
• 2 Oleoyl 1 Palmitoylphosphatidylcholine 40%
• Receptor 20%
• Octanol 20%
• Dodecane 20%