Inhibitory Potential of Pyrrolizidine Alkaloids Extracted from Senecio candicans DC against α-Amylase and α-Glucosidase Enzymes, an in vitro and in silico Approach

Pyrrolizidine alkaloids (PAs) represent natural substances that various plant species produce, with Senecio candicans serving as one of those plants. The study involved extracting pyrrolizidine alkaloids from S. candicans while researchers examined their biochemical activities through laboratory tests and computer-based simulations. The researchers used chromatographic techniques to isolate PAs, and they confirmed the results through GC-MS analysis. The research team used enzyme-based assays to test the compounds, which showed how they interacted with α-amylase and α-glucosidase, while molecular docking and 100 ns molecular dynamics simulations provided insight into binding affinities and complex stability. The findings demonstrate that specific PAs can block enzyme activity when tested in laboratory conditions. The current observations present initial findings that show detailed mechanisms but failed to demonstrate any medical application. The study functions as an initial assessment and exploratory, which creates new research avenues through its examination of PA-enzyme relationships and its demonstration of how research should prioritize safety during the assessment of structural changes, detoxification processes, and in vivo examination.