The anti-hypercholesterolemic potentials of various flavonoids and C-glycosylated flavonoids present in Passiflora incarnata were assessed using computational methods. Molecular docking studies indicate that flavonoids and C-glycosylated flavonoids inhibit Lanosterol Synthase, a crucial enzyme in cholesterol synthesis, through strong binding. These compounds exhibit various interaction patterns, inducing structural deformation in the enzyme which leads to the loweringof its activity and consequently reducing blood cholesterol levels. ADMET analysis highlighted their pharmacological potential, showing positive Human Intestinal Absorption (HIA) for favourable oral bioavailability. Moreover, their non-substrate status for CYP450 enzymes suggests a reduced risk of drug interactions, improving their pharmacokinetic profile. With acute oral toxicity values below 2.5 mol/kg indicating safety, these compounds emerge as promising candidates for Lanosterol Synthase inhibition, presenting a novel approach for managing cholesterol levels.

Passiflora incarnata, Lanosterol Synthase, Molecular Docking, ADMET Analysis