ArticleInternational journal of molecular sciences2026
Molecular Dynamics Simulation and MM/PBSA Analysis of α-Mangostin Stabilization in Soluplus
Article in International journal of molecular sciences, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
α-Mangostin (αM) is a natural xanthone with broad pharmacological activity; however, its therapeutic use is limited by poor aqueous solubility and low bioavailability. Amorphous Solid Dispersion (ASD) is a practical strategy for improving poorly soluble drugs; however, polymer selection remains a critical step that should be supported by molecular-level evidence of drug-polymer compatibility. In this study, 500 ns Molecular Dynamics (MD) simulations followed by Molecular Mechanics/Poisson-Boltzmann Surface Area (MM/PBSA) analysis were used to compare the association of αM with Soluplus
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