Molecular Simulation and Statistical Learning Methods toward Predicting Drug–Polymer Amorphous Solid Dispersion Miscibility, Stability, and Formulation Design

Molecular Simulation and Statistical Learning Methods toward Predicting Drug–Polymer Amorphous Solid Dispersion Miscibility, Stability, and Formulation Design

Amorphous solid dispersions (ASDs) have emerged as widespread formulations for drug delivery of poorly soluble active pharmaceutical ingredients (APIs). Predicting the API solubility with various carriers in the API–carrier mixture and the principal API–carrier non-bonding interactions are critical...

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Bibliographic Details
Main Authors: Daniel M. Walden, Yogesh Bundey, Aditya Jagarapu, Victor Antontsev, Kaushik Chakravarty, Jyotika Varshney
Format: Article
Language:English
Published: MDPI AG 2021-01-01
Series:Molecules
Subjects:
solubility
bioavailability
drug development
amorphous solid dispersions
molecular modeling
molecular dynamics
Online Access:https://www.mdpi.com/1420-3049/26/1/182

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https://www.mdpi.com/1420-3049/26/1/182

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