Unravelling hierarchical levels of structure in lipid membranes

Comput Struct Biotechnol J. 2022 May 25:20:2798-2806. doi: 10.1016/j.csbj.2022.05.042. eCollection 2022.

Abstract

In analogy with the hierarchical levels typically used to describe the structure of nucleic acids or proteins and keeping in mind that lipid bilayers are not just mere envelopers for biological material but directly responsible for many important functions of life, it is discussed here how membrane models can also be interpreted in terms of different hierarchies in their structure. Namely, lipid composition, interaction between leaflets, existence and interaction of domains arising from the coordinate behavior of lipids and their properties, plus the manifest and specific perturbation of the lipid organization around macromolecules embedded in a membrane are hereby used to define the primary, secondary, tertiary and quaternary structures, respectively. Molecular Dynamics simulations are used to illustrate this proposal. Alternative levels of organization and methods to define domains can be proposed but the final aim is to highlight the paradigm arising from this description which is expected to have significant consequences on deciphering the underlying factors governing membranes and their interactions with other molecules.

Keywords: Cell membrane; D.M.P.C., 1,2-DiMyristoyl-sn-glycero-3-PhosphoCholine; D.O.P.C., 1,2-DiOleoyl-sn-glycer0-e-PhosphoCholine; Hierarchical levels of structure; L.R.S., Local Reference System; Lipid bilayer; Molecular dynamics simulations; P.O.P.C., 1-Palmytoyl-2-Oleoyl-sn-glycero-3-Phosphocholine; P.O.P.E., 1-Palmytoyl-2-Oleoyl-sn-glycero-3-PhosphoEthanolamine; P.O.P.G., 1-Palmytoyl-2-Oleoyl-sn-glycero-3-Phospho-Glycerol; S.V.D., Singular Value Decomposition.