Aminoquinolines (AQ) are the base compounds for antimalarials (AM) such as sitamaquine and primaquine phosphate. The mechanism of their biological activity is of prime interest [1-3]. As a result, in order to understand the molecular initiating events (MIEs) in the biological activity of AQ and AM compounds, it is essential as a first step to elucidate their interactions with biological membrane models [4]. Fig. 1(i) summarises two of the structures of the compounds investigated. The aim was to investigate the molecular descriptors which facilitated binding and subsequent damage to the lipid assemblies.