Docking simulation, synthesis and biological evaluation of novel pyridazinone containing thymol as potential antimicrobial agents

Novel derivatives of pyridazinone containing thymol have been synthesized and evaluated for their in vitro antimicrobial activity. Antimicrobial activities were determined using agar well diffusion method against the bacterial E. coli and S. aureus and the fungi Aspergillus niger and P. marneffei. Among all the synthesized pyridazinone compounds, IV, Va – c, Vg – l and lV, Va – b, Vg – l showed good bactericidal and fungicidal activity, respectively, than that of thymol itself. Virtual screening was carried out through docking analysis towards glucosamine-6-phosphate synthase and A. niger phytase. Almost all the synthesized compounds exhibited good binding affinity towards receptor with respect to parent itself.