Abstract
A computational approach is used to predict the mode of organization of lipid molecules. The calculated aggregate states are fully compatible with the lipid phase preference: bilayers for dipalmitoylphosphatidylcholine, micelles for palmitoyllysophosphatidylcholine, and inverted structures for protonated dioleoylphosphatidic acid. The minimal conformational energy of the isolated molecule is calculated as the sum of the contributions resulting from the Van der Waals interactions, the torsional potentials, the electrostatic interactions, and the transfer energy. Assembly of these structures in monolayers yields the most probable modes of organization of lipids. The described method may represent a useful toot to predict the phase preference of lipids and to give a molecular description of their mode of association.
Similar content being viewed by others
References
Cullis PR & de Kruijff B (1979) Biochim. Biophys. Acta559, 399–420.
de Kruijff B, Verkley AJ, Van Echteld CJA, Gerritsen WJ, Mombers C, Noordam PC & de Gier J (1979) Biochim. Biophys. Acta555, 200–209.
Brasseur R, Goormaghtigh E & Ruysschaert JM (1981) Biochem. Biophys. Res. Commun.103, 301–310.
Brasseur R, Deleers M, Ruysschaert JM & Malaisse WJ (1982) Biochem. Inter.5, 659–667.
Brasseur R & Hurwitz HD (1983) J. Electroanal. Chem.148, 249–270.
De Coen JL, Elefante G, Liquori AM & Damiani A (1967) Nature216, 910–913.
Liquori AM, Giglio E & Mazzarella L (1968) Nuovo Cimento55B, 475–480.
Giglio E, Liquori AM & Mazzarella L (1968) Nuovo Cimento56B, 57–62.
Scordamaglia R, Gavollone F & Clemente E (1977) J. Chem. Soc.99, 5545.
Giglio E (1969) Nature 222, 339–341.
Liquori AM (1969) Cf. Rev. Biophys.2, 65–92.
De Coen JL & Ralston E (1971) Biopolymers16, 1929–1935.
Hopfinger AJ (1973) Conformational Properties of Macromolecules, Academic Press, New York, London.
Tanford C (1973) in: The Hydrophobic Effect. Formation of Micelles and Biological Membranes, Wiley, New York.
Nelder JA & Mead R (1965) Computer J.7, 308–313.
Sundaralingam M (1972) Ann. N.Y. Acad. Sci.195, 324–355.
Cullis PR, de Kruijff B, Hope MJ, Verkley AJ, Mayar R, Farren SB, Tilcoch CPS, Madden TD & Bally MB (1982) in: Membrane Fluidity in Biology, vol. 2 (RC Aloia, ed), Academic Press, New York, 1982.
Brasseur R, De Meutter J, Goormaghtigh E & Ruysschaert JM (1983) Biochem. Biophys. Res. Commun.115, 666–672.
Brasseur R, Deleers M, Malaisse WJ & Ruysschaert JM (1982) Proc. Natl. Acad. Sci. USA79, 2895–2897.
Brasseur R, Notredame M & Ruysschaert JM (1983) Biochem. Biophys. Res. Commun.114, 632–637.
Brasseur R, Vandenbosch C, Van den Bossche H & Ruysschaert JM (1983) Biochem. Pharmac.32, 2175–2180.
Deleers M, Brasseur R, Ruysschaert JM & Malaisse WJ (1983) Biophysical Chemistry17, 313–319.
Van Echteld CJA, de Kruijff B & de Gier J (1980) Biochim. Biophys. Acta595, 71–81.
Van Echteld CJA, de Kruijff B, Mandersloot JG (1981) Biochim. Biophys. Acta649, 211–220.
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Brasseur, R., de Kruijff, B. & Ruysschaert, JM. Mode of organization of lipid aggregates: A conformational analysis. Biosci Rep 4, 259–267 (1984). https://doi.org/10.1007/BF01119662
Received:
Issue Date:
DOI: https://doi.org/10.1007/BF01119662