Computation methods for co-crystal screening of APIs

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A promising approach to drug formulation is the design of cocrystals to improve the physicochemicalproperties of active pharmaceutical ingredients (APIs), while maintaining its therapeutic activity. Cocrystalshave the ability to alter certain API characteristics, such as solubility, dissolution, and stability that play a majorrole in overcoming problems associated with drug delivery and bioavailability. However, current approachesfor designing API co-crystals, rely on the use of time-consuming and expensive experimental based co-crystalscreens.To overcome these limitations, Apotex Pharmachem, Canada's largest developer and manufacturer of genericpharmaceuticals seeks to develop high-throughput (HT) screening approaches for designing API co-crystals. Incollaboration with Brock University, the proposed research aims to develop a novel computer-based approachto co-crystal design by using a combination of statistical and quantum mechanical modelling methods. Theseproject outcomes will be the first step towards accelerating the formulation development process and allow forthe reliable prediction of API co-crystal stability. This has wide ranging implications for Apotex to generateinnovative pharmaceuticals and various dosage forms, thus further establishing Canada's place as global leaderin science, innovation, and technology.