Output details

An examination of binding motifs associated with inter-particle interactions between facetted nano-crystals of acetylsalicylic acid and ascorbic acid through the application of molecular grid-based search methods

Most pharmaceutical products are a blend of different, solid-particulate materials and industry has a need to predict and control processing outcomes for blended powders. The characteristics of inter-particle interactions determine the physical and chemical stability of powder mixtures and how they are processed. This paper shows how to quantify the interactions between particles of excipients and active components in solid formulations and establish an industrial work-flow paradigm founded on robust design principles. The work has led to a major technology-transfer initiative in which Pfizer (Klimentina.Pencheva@pfizer.com) is funding the development of bespoke computational tools to exploit this supra-molecular crystal engineering approach.