ASSESSING THE INFLUENCE OF XANTHENE DYES ON THE PHYSICAL PROPERTIES OF LIPID MEMBRANES USING THE MOLECULAR DYNAMICS SIMULATION

Objective: The correct choice of dyes, especially those targeting cell membranes, is a primary task for successful scientific research. In this work, the effect of xanthene dyes, fluorescein, erythrosine, eosin Y and rose bengal, on the physical properties of model lipid membranes was studied using molecular dynamics simulation. Methods: Molecular dynamics simulation. Results and discussion: It was found that xanthene dyes increase the area per lipid, the effect increases in the series fluorescein ≈ eosin Y < erythrosine ≤ rose bengal. Calculation of the packing parameter of the phospholipid molecule “tails” shows that fluorescein, erythrosine and eosin Y have a disordering effect on membranes, while rose bengal has practically no effect on this parameter. Evaluation of the change in the dipole potential of the phospholipid membrane in the presence of dyes shows that their ability to reduce this value increases in the series fluorescein ≈ eosin Y ≈ ≈ erythrosine < rose bengal. Conclusions: Comparison of the results of molecular dynamics simulation with electrophysiological data and the results of differential scanning microcalorimetry has revealed a number of discrepancies, the reasons for which are discussed.