Molecular insights into the interactions of theaflavin and epicatechin with different lipid bilayer membranes by molecular dynamics simulation

Nie, Rong-zu; Luo, Huo-min; Chen, Jing-yu; Sun, Li-heng; Wang, Zi-bo; Zhang, Zhen-ping; Bao, Ya-ru

doi:10.1016/j.chemphyslip.2024.105405

Chemistry and Physics of Lipids

2024

DOI: 10.1016/j.chemphyslip.2024.105405

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Molecular insights into the interactions of theaflavin and epicatechin with different lipid bilayer membranes by molecular dynamics simulation

Rong-zu Nie,

Huo-min Luo,

Jing-yu Chen

et al.

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Cited by 3 publications

References 48 publications

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Theaflavins: An underexploited functional compound in black tea

Zhao,

Huang,

Zhao

et al. 2024

Trends in Food Science & Technology

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Theaflavins: An underexploited functional compound in black tea

Zhao,

Huang,

Zhao

et al. 2024

Trends in Food Science & Technology

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Theaflavins with health-promoting properties: From extraction, synthesis to medicinal application

Zhao,

Zhu,

Wang

2025

Trends in Food Science & Technology

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Epicatechin Influence on Biochemical Modification of Human Erythrocyte Metabolism and Membrane Integrity

Russo,

Patanè,

Laganà

et al. 2024

IJMS

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Red blood cells (RBCs) are the main cells of the blood, perform numerous functions within the body and are in continuous contact with endogenous and exogenous molecules. In this context, the study aims to investigate the effect of epicatechin (EC) (flavan-3-ols) on the erythrocytes, analyzing the protective effect of the molecule and the action exerted on metabolism and RBC membrane. The effect of EC on RBC viability has been evaluated through the change in hemolysis and methemoglobin, assessing caspase 3 activity and performing a cytofluorometric analysis. Next, the impact of the molecule on RBC metabolism was assessed by measuring anion flux kinetics, ATP production, and phosphatase activity. Finally, an evaluation of the potential protection against different stressors was performed. Our results show no detrimental effects of EC on RBCs (no change in hemolysis or methemoglobin and no caspase 3 activation recorded); rather, a protective effect was recorded given the reduction in hemolysis induced by hydrogen peroxide treatment and temperature increase. The increase in anion exchange and intracellular ATP values, with the inhibition of phosphatase PTP1B activity, highlights several biochemical alterations induced by EC. The present results contribute to clarifying the influence of EC on RBCs, confirming the beneficial effects of catechins.

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Molecular insights into the interactions of theaflavin and epicatechin with different lipid bilayer membranes by molecular dynamics simulation

Cited by 3 publications

References 48 publications

Theaflavins: An underexploited functional compound in black tea

Theaflavins: An underexploited functional compound in black tea

Theaflavins with health-promoting properties: From extraction, synthesis to medicinal application

Epicatechin Influence on Biochemical Modification of Human Erythrocyte Metabolism and Membrane Integrity

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