Biological membranes consist of lipids having a large fraction of hydrocarbon chains with at least one unsaturation, which can have cis- and/or trans-isomers in their hydrocarbon chain. The double bond arrangement, either cis or trans, in the hydrocarbon chain of the lipid can have profound effects on the membrane properties, such as water permeability. In this study, we report our computational study on the effect of acyl chain double bonds between cis and trans-forms on the energetics of water permeability. Model membrane investigated include monoolein and DOPC (1,2-dioleoyl-sn-glycero-3-phosphocholine) in the presence and absence of cholesterol. Cholesterol is one of the most important lipids distributed among cellular membranes, playing an important role in the metabolism and in the regulation of the different physicochemical properties of these cellular bilayers. Using molecular dynamic simulations and free energy calculations, our study will provide a valuable insight to the current understanding of the unique membrane properties (e.g. water permeability) caused by either cis or trans forms of unsaturated hydrocarbon chain of lipid and its interactions of cholesterol.

Role of cis and trans double bond on water permeability of model membrane in the presence and absence of cholesterol: Computational studies

2019 Fall National Meeting

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