SYNTHESIS AND MODELING OF NEW POLYCYCLIC COMPOUNDS AND EVALUATION OF THEIR ANTIBIOLOGICAL ACTIVITY

Abstract

The 1, 3-dihydrazino-4,6-dinitrobenzene has been synthesized and characterized. The condensation of the latter with the methyl pyruvate to give the bis2-nitrophénylhydrazono-methyl pyruvate that can exist in two forms diastereoisomer (E/E) and (Z/Z). Condensation of previous bishydrazine with dimethyl oxaloacetate also leads to corresponding bishydrazones. The reduction of bishydrazones synthesized leads to these products whose preliminary characteristics show that they have a reduction, but remains to confirm the final structure. The synthesized products were characterized by melting point and TIRF. Finally, the prediction of the biological activity of these products was carried out using QSAR models. The results showed that the constructed model was evaluated and compared using different statistical criteria for validation. The established model demonstrated great predictive capacity with criteria of R2( 0.9715 ,0.9003 ,0.9509 ) RMSEP( 0.4147, 0.93 , 0.54). The Biological Activity Modeling Study (MIC) showed that synthetic products have an MIC of 0.3 and 0.8 mg/m.