(466g) Rational Pharmaceutical Cocrystallization | AIChE

(466g) Rational Pharmaceutical Cocrystallization


Abramov, Y. - Presenter, Pfizer Global Research & Development
Cocrystal formulation plays a crucial role in Pharmaceutical industry by allowing modification of dissolution rate, degree of supersaturation and bioavailability of non-ionizable poor water-soluble drugs; as well as improved chemical and physical stabilities of intermediates and APIs. Since experimental cocrystal screening may be time and cost consuming, various computational approaches were recently proposed for a rational coformer selection to guide screening experiments.2,3 An overview of the virtual coformer screening approaches will be presented outlying advantages and limitations of each of the methods. A limited number of examples of in silico screening applications will be discussed.


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3. Abramov, Y.A., Ed. Computational Pharmaceutical Solid State Chemistry, John Wiley & Sons, 2016.