QUANTITATIVE STRUCTURE-ACTIVITY-RELATIONSHIPS OF 5-NITROFURAN DERIVATIVES

Quantitative structure-activity relationships were performed on a set of 5-nitrofuran derivatives. The correlation parameters used were hydrophobicity and connectivity. The former was measured by means of the capacity factor (log ko′) obtained by HPLC and the latter through the molecular valence connectivity index1χv obtained by computational methods. The biological activity data considered were growth inhibition percentages of T. cruzi (GI % (48 h)) and half-maximal inhibitory concentration of Glutathione Reductase (I0.5 (max)). Good adjustment, r=0.98, was obtained if a logarithmic model is used for I0.5 (max) correlations. When GI% is considered, correlations were poorer and the consideration of both structural parameters was necessary for their improvement, r=0.94. © 1990 Friedr. Vieweg & Sohn Verlagsgesellschaft mbH.