This paper provides critical insights into the mechanisms underlying the release behavior of amorphous solid dispersions (ASDs), offering valuable predictions through thermodynamic modeling and in silico molecular simulations. This approach not only advances our understanding of ASD dissolution but also illustrates the transformative potential of simulations in optimizing formulation design, reducing trial and error, and enhancing the efficiency of the drug development process. In my research, I have observed how the physical state of active ingredients, such as in sodium loxoprofen formulations from various manufacturers, can vary across crystalline and amorphous states, as revealed through solid-state 23Na NMR MQMAS spectra. This structural diversity underscores the significance of simulations and analytical tools in characterizing and predicting stability—especially since amorphous forms, as I have found, often transform into more stable crystalline hydrates. Furthermore, improving packaging materials like PVC to control permeability remains an ongoing need to ensure pharmaceutical stability. In my studies of sodium loxoprofen, I have observed that under certain conditions, the active ingredient can ultimately convert to its hydrated crystalline form within two months due to the permeability of the PVC used in PTP blister packs. The methodology and insights presented in this work are a commendable contribution to these efforts in pharmaceutical research. #AmorphousSolidDispersions #StabilityStudies #PVCPackaging
In a recent study, scientists from AbbVie and Schrödinger investigated the dissolution of amorphous solid dispersion (ASD) in drug formulations, which is critical for efficient drug release and delivery. Learn how the teams leveraged thermodynamic modeling and molecular simulation to better predict how drugs will behave in real-life situations to inform the development of more effective medicines. Read full publication: https://lnkd.in/ehcDXuiv #Schrodinger #AbbVie #MaterialsScience #PharmaFormulation #DigitalChemistry