title: Conformational analysis of mixed monolayers of phorbol ester and phospholipid.
abstract: A computational approach was used to study the conformation of mixed monolayers of amphiphilic molecules in order to characterize the assemblage of phospholipids around tumor-promoting and biologically inactive phorbol esters. The theoretical model was in fair agreement with both experimental data obtained in mixed monolayers of phorbol esters and dipalmitoylphosphatidylcholine spread at an air-water interface and the binding of phorbol esters to phospholipid bilayers. Thus, the present method may represent a useful tool to predict the orientation and molecular interaction of amphiphilic drugs at the membrane level.
mesh_terms: D008081:Liposomes; D008954:Models, Biological; D008958:Models, Molecular; D008968:Molecular Conformation; D010703:Phorbol Esters; D010704:Phorbols; D011663:Pulmonary Surfactants; D013329:Structure-Activity Relationship
chemical_list: D008081:Liposomes; D010703:Phorbol Esters; D010704:Phorbols; D011663:Pulmonary Surfactants