Chemical constituents from roots of Adina rubella and their α-glucosidase inhibitory activity
This study aims to investigate the chemical components of Adina rubella and evaluate its α-glucosidase inhibitory activity.The constituents from the ethyl acetate fraction of the root of A.rubella were separated and purified by chromatograph-ic techniques including column chromatography of silica gel,Sephadex LH-20 and HPLC.Their structures were mainly eluci-dated by NMR and MS spectroscopic techniques.Twenty-five compounds were isolated and purified,and use modem wave spectroscopy methods to identify their structures as quinovic acid(1),quinovic acid 3-O-β-D-glucopyranoside(2),quinovic acid 3-O-β-D-fucopyranoside(3),quinovic acid 3-O-β-D-glucopyranosyl-28-O-β-D-glucopyranosyl ester(4),gongganoside C(5),gongganoside A(6),quinovic acid 3-O-β-D-fucopyranosyl-28-O-β-D-glucopyranosyl ester(7),quinovic acid 3-O-β-D-quinovopyranosyl-28-O-β-D-glucopyranosyl ester(8),oleanolic acid(9),sinapic aldehyde(10),coniferaldehyde(11),3,5-di-O-caffeoylquinic methyl ester(12),3,4-di-O-caffeoylquinic methyl ester(13),methyl4,5-di-caffeoyl-quinate(14),grandifloroside(15),undulatoside A(16),5,7-dihydroxy-2-methylchromone-7-O-β-D-apiosyl-(1 →6)-O-β-D-glucoside(17),loganin(18),loganic acid(19),sitosterol(20),6'-O-acetyl-β-daucosterol(21),daucosterol(22),syringaldehyde(23),3,4,5-trimethoxyphenyl-1-O-β-D-apiofuranosyl-(1"→6')-O-β-D-glucopyranoside(24),lucidol(25).Among which compounds 2-8,10-14,16,17,19,21,23-25 were isolated from A.rubella for the first time.The results of α-glucosidase inhi-bition activities showed that compounds 12 and 13 exhibited significant inhibitory activities against α-glucosidase,with IC50 values of 8.83±0.54,8.36±1.01 μmol/L,respectively.Enzyme kinetic analysis showed that the type of inhibition of α-glucosidase by compounds 12 and 13 was mixed competitive inhibition,followed by molecular docking and molecular dynamics simulation results showed that compounds 12 and 13 have superior binding capacities with α-glucosidase(binding energy:-10.08 and-10.65 kcal/mol).Compounds 12 and 13 showed significant α-glucosidase inhibitory activities,and they might be the material basis for the α-glucosidase inhibitory activity of eathy lacetata extract from the root of A.rubella.
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