10.5286/ISIS.E.RB2210134
Self-assembly of the beta blocker, acebutolol hydrochloride
ISIS Facility
2022
STFC ISIS Neutron and Muon Data
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.