Synthesis, DNA Binding, DFT Calculations and Molecular Docking Studies of Biologically Active N-((3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)naphthyl Derivatives

Abstract

Six novel pyrazole compounds were synthesized, characterized and its antimicrobial activity was also evaluated. In vitro antibacterial activity against diverse bacterial and fungal strains was tested and the results were compared to the standard drug. The DNA binding properties of calf thymus DNA (ct-DNA) were investigated using electronic absorption and fluorescence spectroscopies . The software performed computer-aided molecular docking experimentations on proteins and (ct-DNA). Synthesized compounds revealed moderate to satisfactory biological activities both experimentally and theoretically.