P- glycoprotein (P-gp) Mediated Drug Interaction between Digoxin & Orange Juice - An Exploratory Study by in-silico Approach
DOI:
https://doi.org/10.48047/z36cyb62Keywords:
P-glycoprotein, In-silico, Molecular docking, Drug interaction.Abstract
Background - The aim of this study explores the potential interaction between digoxin and orange juice through a P-glycoprotein (P-gp)-mediated pathway using in-silico methods. The primary goals are to identify components in orange juice that inhibit P-gp, potentially reducing digoxin's serum toxicity, and to compare the effectiveness of these components with standard Pgp inhibitors such as ketoconazole.
Methods - Molecular docking studies were performed to assess the binding affinity of various orange juice constituents to P-gp. The binding energies of these components, including hesperidin, were evaluated, and the highest affinity was determined. Vicenin-26”-O-glucoside from orange juice demonstrated the highest binding affinity to P-gp, suggesting its strong inhibitory potential.
Results - The results indicate that orange juice may serve as a moderate but effective P-gp inhibitor, comparable to ketoconazole.
Conclusion - Orange juice, particularly through its constituent vicenin-26”-O-glucoside, shows potential as a P-gp inhibitor and could reduce digoxin toxicity, offering a natural alternative to existing pharmaceutical inhibitors like ketoconazole.
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References
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Juliano, R., and Ling, V. (1976). The permeability glycoprotein: A new perspective on drug resistance. Molecular Pharmacology, 12(4), 599–608.
Kim, Y., and Chen, J. (2018). Molecular structure of human P-glycoprotein in the ATP bound outward-facing conformation. Science, 359, 915–919.
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