The structure of pharmaceuticals in aqueous solution: towards better drug solvation models

DOI

The pharmaceutical industry has been described as being 'in a period of crisis' as the number of drug approvals relative to most major pharmaceutical companies Research and Development spending is increasing while the number of new medical entities is steadily decreasing. Coupled with the fact that many drug patents for top-selling drugs are soon to expire ensures that the pharmaceutical industry will soon be entering a crisis. Understanding how drugs interact with a physiologically relevant environment will likely prove to be crucial in the future of effective drug design in the future. Here we propose to measure the structure of three known drugs in water with a vision to understanding how this hydration effects their role in nature.

Identifier
DOI https://doi.org/10.5286/ISIS.E.24089926
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/24089926
Provenance
Creator Dr Sylvia McLain; Dr Sebastian Busch; Mr Andrew Johnston
Publisher ISIS Neutron and Muon Source
Publication Year 2016
Rights CC-BY Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/
OpenAccess true
Contact isisdata(at)stfc.ac.uk
Representation
Resource Type Dataset
Discipline Photon- and Neutron Geosciences
Temporal Coverage Begin 2012-12-10T08:26:07Z
Temporal Coverage End 2013-10-19T08:15:54Z