ADMET and DMPK  

Computational screens can speed up the discovery of pharmaceutical cocrystals

Rafel Prohens, Christopher A Hunter

Abstract


The calculation of Surface Site Interaction Points for cocrystal computational screens in combination with efficient experimental cocrystallization techniques has been applied successfully to several drug compounds. The basics of this combined approach are briefly reviewed in this communication.


Keywords


cocrystals; virtual screening; H-bond parameters

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DOI: http://dx.doi.org/10.5599/admet.641

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ISSN 1848-7718