Computational screens can speed up the discovery of pharmaceutical cocrystals

  • Rafel Prohens University of Barcelona http://orcid.org/0000-0003-0294-1720
  • Christopher A Hunter University of Cambridge | Department of Chemistry | Lensfield Road | CB2 1EW | Cambridge (UK)
Keywords: cocrystals, virtual screening, H-bond parameters

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.

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Published
26-12-2018
Section
Short Communications