The interaction capabilities of phytoconstituents of ethanolic seed extract of cumin ( <i>Cuminum cyminum</i> L.) with HMG?CoA reductase to subside the hypercholesterolemia: A mechanistic approach

The aim of this study was to evaluate hypocholesterolemic potential phytoconstituents ethanolic seed extract cumin (Cuminum cyminum L.) by assessments interaction capabilities with 3-hydroxy-3-methyl-glutaryl-coenzyme A reductase (HMG-CoA) through in vivo and silico along screening the test extract. were identified Gas chromatography-mass spectrometry (GC-MS)/MS examinations. hypercholesterolemic rabbit animal model used for further examined lipid profile atherogenic indices. treatments standard drug (atorvastatin) caused significant reductions dyslipidemia indices, that is, index plasma (AIP), Casteli Risk Index-I (CRI-I), CRI-II coefficient (AC). Accordingly, molecular docking showed interactions between cuminaldehyde HMG-CoA compared other phytoconstituents. Further, dynamics (MD) validated N-Substance, V-Volume, T-Temperature (NVT), P-Pressure, (NPT), Root Mean Score Deviation (RSMD), Fluctuation (RSMF), radius gyration, system density, energy locality assessment complex evaluated angle distribution, average interaction, free solvation, solvent accessible surface area (SASA). Subsequently, absorption, metabolism, excretion toxicity (ADMET) predictions revealed druggability bioavailability criteria leading compounds. On basis results obtained, it can be concluded small phytochemical molecules have inhibit ameliorate