Preprint Review Version 1 Preserved in Portico This version is not peer-reviewed

Dynamic and Energetic Aspects of Carotenoids In-and-Around Model Lipid Membranes Revealed in Molecular Modelling

Version 1 : Received: 25 June 2024 / Approved: 26 June 2024 / Online: 26 June 2024 (08:51:00 CEST)

A peer-reviewed article of this Preprint also exists.

Pasenkiewicz-Gierula, M.; Hryc, J.; Markiewicz, M. Dynamic and Energetic Aspects of Carotenoids In-and-Around Model Lipid Membranes Revealed in Molecular Modelling. International Journal of Molecular Sciences 2024, 25, 8217, doi:10.3390/ijms25158217. Pasenkiewicz-Gierula, M.; Hryc, J.; Markiewicz, M. Dynamic and Energetic Aspects of Carotenoids In-and-Around Model Lipid Membranes Revealed in Molecular Modelling. International Journal of Molecular Sciences 2024, 25, 8217, doi:10.3390/ijms25158217.

Abstract

In the introductory part of this review, the relevant results of mostly the latest experimental studies on carotenoid absorption and availability in the human body are briefly presented. The subsequent parts summarise such topics as carotenoid carriers, body transport and tissue delivery, before finally reporting on molecular-level studies of carotenoid binding by membrane receptors. The main message of the review is contained in the section describing computational investigations of carotenoid intercalation and dynamic behaviour in lipid bilayers. The relevance of these computational studies lies in showing the direct link between the microscopic behaviour of molecules and the characteristics of their macroscopic ensembles. Furthermore, studying the interactions between carotenoids and lipid bilayers, and certainly proteins, on the molecular- and atomic-level using computational methods facilitates interpretation and explanation of the macroscopic properties of these systems and, hopefully, helps to better understand the biological functions of carotenoids.

Keywords

spontaneous membrane intercalation; preferred membrane orientation; free energy gain; timescales; lipid-soluble antioxidant; trans-cis photoisomerisation

Subject

Biology and Life Sciences, Biophysics

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