Synthesis,Characterization and Anti-tumor Activity of Bakuchiol Derivatives
Bakuchiol was a natural product which possess the anti-tumor activity.In order to dis-cover new anti-cancer agents,four bakuchiol-1,3,5-triazine derivatives were designed and synthe-sized.The structures of the four bakuchiol-1,3,5-triazine derivatives were characterized by 1H-NMR,13C-NMR,IR and HRMS.The anti-proliferation activities of these compounds on Panc-1(pancreatic cancer cell)were determined by MTT assay.The data showed that all compounds had certain inhibitory activities on the proliferation of Panc-1 cells at the concentration of 100 μmol/L.Among them,4,6-bis(4-((E)-3,7-dimethyl-3-vinylocta-1,6-dien-1-yl)phenoxy)-N,N-dipropyl-1,3,5-triazin-2-amine(4a)had the best anti-tumor activity,with an IC50 of 95.59 μmol/L.Molecular docking showed that 4a could bind to the active center of vascular endo-thelial growth factor receptor(VEGFR),and the oxygen atom on the phenolic hydroxyl group of the compound bakuchiol could interact with the ASN923 residue of the active center of VEGFR through hydrogen bonding.ADMET prediction showed that the fat solubility of 4a was better than that of bakuchiol.Therefore,compound 4a provided a solid experimental basis for subse-quent studies.Looking forward to the future,people can further explore the antibacterial,anti-inflammatory,antioxidant and other multiple biological activities of this series of compounds,in order to inject more innovative ideas into the drug research and development field and contribute to human health.
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