Hypoglycemic targets of orientin and isoorientin based on virtual screening and in vitro test
Objective To study the hypoglycemic target of orientin and isoorientin and their activities in vitro.Methods The structure of diabetes-related target proteins was obtained from the www.rcsb.org database,and the binding of orientin and isorientin to diabetes-related target proteins was evaluated by virtual molecular docking score,the inhibitory effects of orientin and isoorientin on α-glucosidase,SGLT2,and PTP1B in vitro were evaluated by using 1-NBDG,PNDG and PNPP as substrates.Results The molecular docking scores of orientin with α-glucosidase,SGLT2,and PTP1B were-5.67,-9.32,and-4.75,respectively.Molecular docking scores of isoorientin with α-glucosidase,SGLT2,and PTP1B were-5.34,-8.63,and-4.93,respectively,while the molecular docking scores of positive control drug and target were-5.58,-9.79 and-9.28,respectively.The inhibition rates of orientin on α-glucosidase,SGLT2,and PTP1B were(16.7±5.8)%,(15.4±1.2)%,and(3.0±0.5)%,respectively.The inhibitory rates of isoorientin on α-glucosidase,SGLT2,and PTP1B were(11.8±3.8)%,(9.4±1.1)%,and(-3.8±0.6)%,respectively.The inhibition rates of α-glucosidase,SGLT2,and PTP1B in positive control were(63.7±5.8)%,(92.7±8.8)%,and(73.4±8.3)%,respectively.Conclusion Orientin and isorientin showed certain inhibitory activities on SGLT2 and α-glucosidase,and had little inhibitory effect on PTP1B,and oriorientin was slightly stronger than isorientin in vitro,orientin may be a potential lead compound for a class of hypoglycemic agents with dual-target effects.
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