Design, Synthesis, and Evaluation of New Dienones as Antifungal Agents

Abstract The growing resistance of fungi to antifungal drugs has become a matter of concern for public health in the last few years. The pursuit requirement for innovative therapeutic motifs is still crucial toward many new pathosis and resistant strains of microorganisms. Chalcones are ketones α, β‐unsaturated which further designed with extended conjugation of double bonds were synthesized and screened for anti‐fungal pathogens lifted with molecular docking study. The structural verification of all the compounds was performed using NMR, and ADMET and physicochemical profiling were used to analyze them. The 3d and 4d molecules are promising lead molecules, which are supported by both computational and in vitro data. The study determined that novel synthesized dienones enhanced anti‐fungal activity both in vitro and in a computational study. The in silico designing and docking analysis results were found to comply with the in‐vitro result.