Abstract
Inhibition of alpha-amylase and alpha-glucosidase enzymes is considered a therapeutic measure for the management of diabetes. Nephrolepis cordifolia (L.) C.Presl is a plant that is utilised by the indigenous communities of North East India for its medicinal properties. Previous studies have predicted its potential as an anti-diabetic agent. In our study, we carried out an in-silico study of the binding ability of the reported phytochemicals of N. cordifolia leaf extract to the enzymes alpha-amylase and alpha-glucosidase. That was followed by the molecular simulation dynamics studies. In-vitro assays were carried out to check the inhibitory activity of the leaf extract of N. cordifolia upon the activities of alpha-amylase and alpha-glucosidase. Docking studies revealed fernene as the phytochemical present in the leaf extract that showed the best binding values against the enzymes. Molecular dynamics studies revealed a steady binding of fernene when bound to the enzymes. Fernene showed favourable ADMET properties. The ethanolic extract of N. cordifolia was able to lower the activity of both enzymes. Our results show that the leaf extract of N. cordifolia holds considerable ground for further exploration of its anti-diabetic activity. SUPPLEMENTARY INFORMATION: The online version contains supplementary material available at 10.1007/s40203-025-00435-0.