Stereochemical model for phospholipids. III: Molecular conformation and molecular packing of l-O-phosphatidylserine (PS)

In analogy with part II of this study an empirical energy calculation was carried out to evaluate the conformational state of $\text{l}\text{-O-}\text{phosphatidylserine}$ (PS), which constitutes the polar head of a class of phospholipid molecules.A set of conformers which differ in the orientation of the carboxyl and ammonium groups with respect to the phosphate group was identified.An energy packing calculation was carried out by considering each derived conformer located in a hexagonal lattice, with a calculation procedure identical to that previously applied.Molecular aggregates with different degrees of reticulation arose in relation to the conformational state and the orientation of the molecule in the eulerian space.The stability and the physical significance of each derived geometry is discussed.