Computational screens can speed up the discovery of pharmaceutical cocrystals

Rafel Prohens; Christopher A Hunter

doi:10.5599/admet.641

Computational screens can speed up the discovery of pharmaceutical cocrystals

Authors

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)

DOI:

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

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

Issue

Vol. 6 No. 4 (2018)

Section

Short Communications

How to Cite

Computational screens can speed up the discovery of pharmaceutical cocrystals. (2018). ADMET and DMPK, 6(4), 284-287. https://doi.org/10.5599/admet.641