Inhibition of α-Glycosidase by Lippia dulcis Trevir. (Verbenaceae) preparations, quantification of verbascoside, and study of its molecular docking

Abstract

This studyaimedto quantifyverbascoside(VEB),performmoleculardockingstudiesof VEB with theα-glucosidase(GL) ofBacillusstearothermophilus,and evaluatethe inhibitionof the enzymebyL. dulcispreparations.The substrateconcentrationand presenceof reducedglutathionewere evaluatedfor their effecton thein vitroinhibitionof the GL enzyme.Assayswere also performedin the presenceand absenceofsimulatedgastricfluid. The antidiabeticfractions2 and 3 were the most inhibitedGL, but their activityweresignificantlydecreasedin the presenceof gastricfluid. Chromatographicanalysesconfirmedthe predominantpresenceof VEB in the samples.The sampleshad VEB concentrationsbetween49.9 and 243.5 mg/g.Simulationof the moleculardockingof VEB were consistentwith its GL-inhibitoryactivity.It can concludethat the crudeethanolextractand fractionsshow inhibitoryactivityagainstthe GL enzyme.