The intrinsic molecular potential of glyceryl monooleate layers and its effect on the conformation and orientation of an inserted molecule: example of gramicidin A.
It is shown by explicit calculation that the distribution of the atomic charges in the constituent molecules of a lipid monolayer or bilayer of glyceryl monooleate creates an intrinsic potential difference between the head region and the hydrocarbon region which tends to repel positive charges towards the exterior and attract negative charges to the interior. The analogies and differences between a bilayer and a monolayer are analyzed. The possible consequences of the intrinsic potential gradient in a lipid layer on the preferred orientation and conformation of a polar neutral molecule are illustrated on the case of a gramicidin A monomer.
Wang
J
J
Laboratoire de Biochimie Théorique associé au C.N.R.S., Institut de Biologie Physico-Chimique, Paris, France.
Pullman
A
A
D055598:Chemical Phenomena; D002627:Chemistry, Physical; D005989:Glycerides; D006096:Gramicidin; D008051:Lipid Bilayers; D008962:Models, Theoretical; D011487:Protein Conformation; D013329:Structure-Activity Relationship; D013816:Thermodynamics; D014364:Tryptophan
D005989:Glycerides; D008051:Lipid Bilayers; D006096:Gramicidin; D014364:Tryptophan; C005953:monoolein