Prominent Antidiabetic and Anticancer Investigation of Scrophularia deserti Extract: Integration of Experimental andComputational Approaches

Diabetes mellitus (DM) is a group of syndromes and complications characterized by hyperglycemia, metabolic disorders inlipids, carbohydrates, and proteins. It causes an increased risk of vascular complications. A methanolic extract of
Scrophulariadeserti
was found to reduce blood glucose in basal conditions and after heavy glucose load in normal rats.
S. deserti
extractlowered the hyperglycemia in streptozotocin-induced diabetic rats (33.33% at 200mg/kg, 41.43% at 400mg/kg, 2-, and 4-hours following administration when compared to standard glibenclamide (52.05%). Furthermore, the in vitro activity of theextract was screened against two major diabetes targets; human α-glucosidase and human α-amylase, and showed 88-87%inhibition effect compared to reference drugs. In addition, the
Scrophularia deserti
extract was assayed for detection of itsantioxidant assay as a free radical scavenger. In the cytotoxicity experiment, the extract exhibited a good cytotoxic selectivityto cancer over normal cell lines. Herin, we categorized all active components existing in the plant extract as defined by LC-MS tool for further computational studies. Certain molecular modeling studies have been done including dockingexperiments and molecular dynamic simulations for the most predicted potent active metabolites; Caffeic acid 3-glucosideand 1-O-feruloyl-β-D-glucose. The results revealed good binding and stability behavior within the active sites of both targets.