par Brasseur, Robert ;Chatelain, Pierre ;Goormaghtigh, Erik ;Ruysschaert, Jean Marie
Référence Archives of physiology and biochemistry, 92, 2, page (BP3-BP4)
Publication Publié, 1984
Article révisé par les pairs
Résumé : Several theories point out the correlation of the anaesthetic potenties of organic molecules with their membrane solubility. It has been shown that alkanols at nerve-blocking concentrations expand biological membranes (Seeman et al., 1969) or disturb order-parameters associated with the lipid (Chin & Goldstein, 1977). The mode of interaction of n-alkanols and lipids is unknown. In the present communication, the interaction of an homologous series of saturated aliphatic alkanols (C1-C13) with dipalmitoyl-dl-αphosphatidylcholine (DPPC) is studied by a semi-empirical conformational analysis. This technique was developed to calculate the conformation of phospholipids (Brasseur et al., 1981) and other amphiphilic molecules (Brasseur et al., 1983) taking into account the anisotropic conditions of the interface. It takes into account not only the Van der Waals energies but also electrostatic and torsional energies (Brasseur et al., 1982). To simulate the lipid-water interface, the electrostatic energy is calculated as a function of changes in the dielectric constant. The interfacial anisotropy conditions were found to induce several patterns of interactions of n-alkanols with lipids as their hydrocarbon chain length was increased. For n ≤ 3, the g-conformers are the most probable, giving rise to a water soluble structure. These structures interact only with the polar head group of DPPC. For n ≥ 4, only all-trans conformers are obtained giving rise to anisotropic water insoluble molecular structures. According to the n-alkanols hydrocarbon chain length, 3 patterns of interactions were obtained: © 1984 Informa UK Ltd All rights reserved: reproduction in whole or part not permitted.

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