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Two methodologies in the molecular structure and the intermolecular interactions analysis of pharmaceuticals in the solid-state: X-ray diffraction and 13C CPMAS NMR data mining
* 1 , 1 , 1 , 2
1  Medical University of Warsaw, Faculty of Pharmacy, Department of Organic Chemistry
2  Adam Mickiewicz University, Faculty of Chemistry, Department of Crystallography

Published: 02 November 2015 by MDPI in 1st International Electronic Conference on Medicinal Chemistry session ECMC-1

Increasing demands from the pharmaceutical industry for rapid molecular structure determination of pharmaceutical solids has prompted the development of X-ray diffraction and 13C CP/MAS NMR data analyses. The solid-state form of the drug can have dramatic impact on the bioavailability, and the regulatory approval for many drugs is given only for the defined polymorph.

The intermolecular interactions are crucial in interpretation of interactions between the biomolecules and macromolecular targets and their analysis can provide essential information about how they occur.

The compounds presented in this report can be considered as the pentamidine analogs, which are of interest because they have potential use as the chemotherapeutics against Pneumocystis pneumonia, as potent NMDA receptor inhibitors or as anticancer and antimicrobial agents.