The investigation of small molecules with potential for non-addictive analgesics: data

Full description

A collaborative project between CSIRO and Monash University set out to find analgesics with a reduction in molecular weight which is associated with better oral bioavailability. The aim was to look for small molecules which mimic peptide function and have pain killer properties. The researchers explored the structure-activity relationship of a previously designed non-peptide mimetic and sought to reduce the molecular weight and examine how the resulting small non-peptide mimetics act as calcium channel blockers. They thus tried mimicing activities using smaller compounds that could be orally dosed. Different structures were investigated by observing their reactions and then manipulating them to try and achieve pain killing properties. Raw data, from the mass spectrometers and from NMR, processed using the proprietary software Bruker TOPSPIN program, is phased, integrated, analysed and interpreted, using hard copy in laboratory books. A PhD thesis by Janease Graham and journal articles by the investigators, Kellie Tuck and Peter Duggan, describe the reactions and provide all the analytical data. Results from this project will be re-used by the researchers in a second project using a new pain model which will enable them to see how the compounds actually react in the body and how the compound will interact with the calcium channel.

Notes

NMR data files (660 Mb of useful NMR). Other electronic files (100 Mb). Approximately 8 laboratory books; 1 A4 folder; 3 folders of print copy of Mass Spectra data; document listing all publications related to the research data (doc) which includes 6 posters, 2 conference papers, 1 paper to the Peptide User Group, 1 Honours thesis, 1 PhD confirmation of candidature talk and 1 PhD thesis.

Significance statement

This dataset provides evidence that there are more ways of finding out more about how the small non-peptide mimetics act as calcium blockers and will be used in a new project which will investigate synthesis of potential, novel non-addictive analgesics in more depth.