ISIS Neutron and Muon Source Data Journal

Self-assembly of the beta blocker, acebutolol hydrochloride

Abstract: Some drug molecules are surface active and, as such, self-assemble into micellar structures when present above a concentration known as their critical micelle concentration (cmc), although there is evidence of pre-micellar aggregation with some drugs. What is not currently understood is whether this ?surfactant-like? behaviour is important for the drug's therapeutic activity. As part of a larger study aimed at gaining insight into the structure-function relationship between a drug?s surface active nature and its therapeutic activity, we wish to perform contrast variation SANS experiments in order to understand how the conditions that the drug, here the commonly used beta blocker acebutolol hydrochloride, would encounter in the body might influence its aggregation behaviour. The results of this study will be combined with the results of molecular dynamic simulations.

Principal Investigator: Professor Jayne Lawrence
Local Contact: Dr Najet Mahmoudi
Experimenter: Dr Dave Barlow
Experimenter: Dr Vahid Heravi Shargh
Experimenter: Dr Richard Campbell
Experimenter: Miss Yixuan Yan

DOI: 10.5286/ISIS.E.RB2210134

ISIS Experiment Number: RB2210134

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
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Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

For Example:
Professor Jayne Lawrence et al; (2022): Self-assembly of the beta blocker, acebutolol hydrochloride, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2210134

Data is released under the CC-BY-4.0 license.