Effective drug delivery is a key component in the performance of any therapeutic. Providing active pharmaceutical ingredients (APIs) to a target in appropriate doses poses a myriad of interdisciplinary challenges; even miniscule changes can result in reduced therapeutic efficacy, poor manufacturability, or, at worst, potentially life-threatening side effects. Computational materials science can contribute important information relevant to the physicochemical properties of an API and its solid form. These techniques allow researchers to explore the molecular level processes that underpin these observed bulk phenomena to minimize potential downstream risk. As a result, teams can feel confident that they are providing the most efficacious and safe products to their patients.
Computational materials science techniques can help researchers gain a deeper understanding of the molecular interactions that underpin the physicochemical properties of a drug and its interactions with excipients and other coformers. BIOVIA Materials Studio offers a comprehensive collection of tools to foster the understanding researchers need to optimize existing formulations, develop new ones or explore completely novel delivery methods.