Synthesis, biological evaluation, and molecular docking of novel ferulic acid derivatives containing a 1,3,4-oxadiazole thioether and trifluoromethyl pyrimidine skeleton
Jiansong An, Nianjuan Pan, Chunyi Liu, Haijiang Chen, Qiang Fei, Xiuhai Gan, Wenneng Wu
Abstract
. Furthermore, molecular docking simulations elucidated that compound 6f engaged in hydrogen bonding with the succinate dehydrogenase (SDH) enzyme at SER-17, SER-39, ARG-14 and ARG-43 sites, clarifying its mode of action. This study highlights the potential of these novel ferulic acid derivatives as promising agents for controlling fungal and bacterial threats to plant health. To the best of our knowledge, this study represents the first report on the antifungal and antibacterial properties of ferulic acid derivatives containing 1,3,4-oxadiazole thioether and trifluoromethyl pyrimidine skeleton.
Topics & Concepts
OxadiazoleThioetherPyrimidineChemistryTrifluoromethylFerulic acidDocking (animal)Combinatorial chemistryStereochemistryOrganic chemistryBiochemistryNursingMedicineAlkylSynthesis and biological activityFungal Plant Pathogen ControlSynthesis and Biological Evaluation