Theoretical conformational analysis of phospholipids: Influence of the parallelism of the β and γ alkyl chains on the glycerol moiety conformations. Anchoring of the aliphatic chains at the hydrophobic-hydrophilic interface
✍ Scribed by M. Kreissler; P. Bothorel
- Publisher
- Elsevier Science
- Year
- 1978
- Tongue
- English
- Weight
- 744 KB
- Volume
- 22
- Category
- Article
- ISSN
- 0009-3084
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✦ Synopsis
Conformatlonal analysis by empirical energy calculations of glyceryldibutanoate phosphatidylethanolamine, taking into account constraints occuring in bilayers of phospholipids, was carried out by means of energy maps and energy minimization. Variation of the interchain distance and imposed parallelism of the alkyl chains in the yicinity of the carboxyl groups induce conformational changes in the glycerol moiety. It is possible to increase the interchain distance during melting without notably increasing the conformational energy of the glycerol moiety (less than 1 kcal/mol when the distance varies from 0.48-0.60 nm). However the number of stable conformations decreases as the distance increases and eventually, the glycerol moiety becomes rigid.