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. 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 HMG-CoA reductase 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.
                    Previous Article in event
            
                            Previous Article in session
            
                    
    
                    Next Article in event
            
                                                    
        
                
                    Amperometric determination of serotonin exocytosis in human platelets with BDD-on-quartz MEA devices
                
            
                            Next Article in session
            
                    
                    The Evaluation of Citrus bergamia Phytochemicals as Potential Cholesterol-Lowering Agents against HMG-CoA Reductase: An In Silico Molecular Docking Study
                
                                    
                
                
                    Published:
12 April 2024
by MDPI
in The 3rd International Electronic Conference on Biomolecules
session Bioinformatics and Computational Biology
                
                
                
                    Abstract: 
                                    
                        Keywords: cholesterol-lowering properties; Citrus bergamia; HMG-CoA Reductase; molecular docking; in silico
                    
                
                
                 
         
             
        
    
    
         
    
    
         
    
    
         
    
    
         
    
