The Evaluation of Citrus bergamia Phytochemicals as Potential Cholesterol-Lowering Agents against HMG-CoA Reductase: An In Silico Molecular Docking Study

Elevated cholesterol levels, or hypercholesterolemia, have been recognized as the underlying cause of various diseases, most notably cardiovascular diseases. Unfortunately, most cholesterol-lowering (or anti-hypercholesterolemic) drugs are associated with several adverse effects, emphasizing the need to identify new cholesterol-lowering strategies. Natural products, particularly bioactive phytochemicals, have gained significant attention for their safer profile, fewer side effects, and potential health benefits, including cholesterol-lowering properties. The citrus fruit bergamot (Citrus bergamia) is renowned for its diverse array of bioactive phytochemicals. In this study, an in silico approach was utilized to assess the cholesterol-lowering potential of phytochemicals derived from C. bergamia. Molecular docking using AutoDock Vina of the selected phytochemicals was performed against the HMG-CoA reductase (HMGR), an enzyme targeted for hypercholesterolemia. Our results indicated that among the selected 20 phytochemicals, 8, namely eriocitrin, narirutin, scolymoside, neodiosmin, brutieridin, neohesperidin, rhoifolin, and naringin, exhibited better binding affinities than the conventional HMGR inhibitor, atorvastatin (−9.2 kcal/mol). Notably, among these top eight phytochemicals, eriocitrin displayed the most favorable binding affinity of −10.0 kcal/mol. These findings strongly imply that C. bergamia possesses potential HMGR-inhibitory activity and anti-hypercholesterolemic activity, primarily due to the high binding affinities exhibited by its phytochemical constituents. Therefore, further studies must be considered to comprehensively explore the cholesterol-lowering properties of C. bergamia phytochemicals.