DNA Binding, Photo Cleavage Mechanism and in Silico Docking Studies of 1,3,4-Oxadiazole Schiff’s Base Derivatives, Their Synthesis and Characterization

Abstract

The present study emphasizes on the synthesis and biological activity of the 1,3,4- substitute Schiffs base derivatives 5(a-f). In silico docking studies were performed to analyse the efficiency of the synthesized compounds for their antimicrobial, DNA binding cleavage potential and acute toxicity properties. Results of the study highlight that the compounds 5c, 5a, and 5e are comparatively more significant bioactive molecules among the synthesized compounds with minimal toxic effects. Further, the hypothesis of the docking studies was evaluated by in vitro antimicrobial, and the DNA binding cleavage efficiency of the synthesized compounds 5(a-f) with Circulating Tumour DNA (CT-DNA) was examined through UV absorption and viscosity measurement studies. The study results reveal that the compound firmly binds via interactive mode with CT-DNA and provides a distinctive DNA binding pattern. The study results justified the hypothesis made through docking and proved it as a potent bioactive molecule.