Interaction between dihydropyridines and phospholipid bilayers: a molecular dynamics simulation.
Interaction of the calcium-channel antagonist dihydropyridines (DHPs), lacidipine and nifedipine, with a phospholipid bilayer was studied using 600 ps molecular dynamic simulations. We have constructed a double layer membrane model composed of 42 dimirystoyl-phosphatidylcholine molecules. The DHP molecules locate at about 7 A from the centre of the membrane, inducing an asymmetry in the bilayer. While lacidipine did not induce significant local perturbations as judged by the gauche-trans isomerisation rate, nifedipine significantly decreased this rate, probably by producing a local rigidity of the membrane in the vicinity of the DHP.
Aiello
M
M
Istituto di Cibernetica e Biofisica, Consiglio Nazionale delle Ricerche, Genova, Italy.
Moran
O
O
Pisciotta
M
M
Gambale
F
F
D002121:Calcium Channel Blockers / Q000737:chemistry* / Q000494:pharmacology; D004095:Dihydropyridines / Q000737:chemistry* / Q000494:pharmacology; D004134:Dimyristoylphosphatidylcholine / Q000737:chemistry; D008051:Lipid Bilayers / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation; D015394:Molecular Structure; D009543:Nifedipine / Q000737:chemistry* / Q000494:pharmacology; D010743:Phospholipids / Q000737:chemistry*; D013268:Stimulation, Chemical; D013816:Thermodynamics
D002121:Calcium Channel Blockers; D004095:Dihydropyridines; D008051:Lipid Bilayers; D010743:Phospholipids; C060285:lacidipine; D009543:Nifedipine; D004134:Dimyristoylphosphatidylcholine