Résumé
objective To explore the role of Xanthatin in the targets of epithelial-mesenchymal transition (EMT) process using molecular docking method,and the effect on the target protein expression of HepG2 cells was detected by Western assay.Method Dhs,Vimentin,Snail and VEGFR3 are critical targets in EMT process,the spatial binding ability of Xanthium was evaluated by molecular docking method,compared with the corresponding endogenous substances:nicotinarnide adenine dinucleotide,Acetate ion,flavin adenine dinucleotide,and N-Acetyl-D-glucosamine.HepG2 cells were cultured,and the effects of Xanthatin of 1,5 and 20 mol/L concentrations on Dhs,Vimentin,Snail and VEGFR3 protein expression were detected by Western Blotting assay.Rusult Molecular docking show that Xanthatin has obvious affinity to key factors of EMT process such as Dhs,Vimentin,and VEGF-R3,higher than that of endogenous substance;and the affinity with Vimentin was less than that of endogenous substance;Western Blotting experiments proved the virtual results.The expression of Vimentin,Snail,VEGFR3 protein was significantly lowered,and the expression of e-cadherin was significantly raised.Conclusion The influence of Xanthatin to key factor e-cadherin,Vimentin,Snail,VEGFR3 are obvious,Which is likely to be a potential target.The results of computer virtual experiment and Western Blotting have certain similarity.Molecular virtual docking can pre hint the potential target factor.
Résumé
Objective: To study the chemical constituents of Xanthii Fructus. Methods: The compounds were isolated and purified by chromatography on silica gel, ODS, and Sephadex LH-20 columns, and their structures were determined according to physicochemical properties and spectral analyses. Results: Fifteen compounds were obtained and identified as loliolide (1), (3S, 5R, 6S, 7E)-5, 6-epoxy-3-hydroxy-7-megastigmene-9-one (2), 7α-hydroxy-β-sitosterol (stigmast-5-ene-3β, 7α-diol) (3), stigmast-4-ene-3β, 6α-diol (4), 6'-palmitoxyl-β-daucosterin (5), β-sitosterol (6), daucosterol (7), balanophonin (8), pinoresinol (9), xanthatin (10), xanthinosin (11), xanthienopyran (12), p-hydroxybenzaldehyde (13), 3-methoxy-4-hydroxy-transcinnamaldehyde (14), and quercetin (15). Conclusion: Compounds 1-5 are obtained from the plants in Xanthium L. for the first time, and compound 8 is isolated from this plant for the first time.