Short communication, Note

https://doi.org/10.5599/admet.641

Computational screens can speed up the discovery of pharmaceutical cocrystals

Rafel Prohens orcid.org/0000-0003-0294-1720 ; Unitat de Polimorfisme i Calorimetria, Centres Científics i Tecnològics, Universitat de Barcelona, Baldiri Reixac 10, 08028 Barcelona, Spain
Christopher Hunter ; Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, UK

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 screen; H-bond parameters

Hrčak ID:

213884

URI

https://hrcak.srce.hr/213884

Publication date:

27.12.2018.

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