QSRR study of β-tetralino-spiro-5-hydantoin derivatives

Abstract

In recent years spiro compounds have attracted significant interest due to their unique conformational features and their structural implications on biological systems. Since spiro compounds contain two rings with only one shared atom have a good balance between conformational restriction and flexibility, makes them adaptable to many biological targets. Therefore, knowledge of their interactions in aqueous systems is of crucial importance for the understanding of biological response and hence the initial step for the selection of the compound for the drug candidate. In this poster presentation the retention data for two series of spiro compounds derivatives of β-tetralino-spiro-5-hydantoins with a 4-substituted benzyl group or a 2-(4- substituted phenyl)-2-oxoethyl group in the position 3 (structures presented in Figure 1) were investigated. The attention of this work will be focused on the evaluation of chromatographic lipophilicity parameters determined by means of reversed-phase thin layer chromatography (RP-TLC) and reversed phase high-performance liquid chromatography (RP-HPLC). Principal Component Analysis (PCA) will be used in order to find similarities and differences among the investigated compounds, their retention data and structural parameters relevant for the activity.