Anti-Cholesterol Activity, LC-MS/MS Compound Profiling, and In Silico Analysis of Menteng (Baccaurea racemosa Muell. Arg.) Leaves Extracts

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Hypercholesterolemia is recognized as a major risk factor for cardiovascular diseases and was commonly treated with long-term synthetic drugs, which were costly and associated with side effects. Medicinal plants, such as menteng (Baccaurea racemosa) leaves, have been explored as potential natural alternatives. This study investigated the anti-cholesterol activity of different menteng leaf extract fractions in vitro, identified the bioactive compounds in the most active fraction using LC-MS/MS, and assessed their potential as drug candidates through an in-silico approach. The research involved stepwise fractionation with n-hexane, ethyl acetate, and n-butanol solvents. Cholesterol level was evaluated in-vitro using the Liebermann-Burchard method by reacting with acetic anhydride and sulfuric acid, and bioactive compounds were identified through LC-MS/MS analysis. Molecular docking, biological activity prediction, and toxicity analysis were also performed. The results showed that the n-butanol fraction exhibited the highest in vitro anti-cholesterol activity (EC50 = 45.16 mg/L), surpassing the ethanol extract and other fractions. LC-MS/MS analysis revealed 7 bioactive compounds, including flavonoids (quercitrin, apiin and vitexin), phenolics (nicotiflorin), alkaloids (indole), phenylpropanoids (umbelliferone), and coumarins. The in-silico study demonstrated that these compounds had strong binding affinities compared to control drugs. These findings suggested that menteng leaf extracts, particularly the n-butanol fraction, could serve as a natural anti-cholesterol agent. Further in vivo studies and clinical trials are needed to confirm their therapeutic efficacy. HIGHLIGHTS Menteng (Baccaurea racemosa) leaves exhibit strong anti-cholesterol activity, with the n-butanol fraction showing the highest effectiveness, achieving an EC50 value of 45.16 mg/L. This suggests its potential as a natural alternative for managing hypercholesterolemia. LC-MS/MS analysis identified seven bioactive compounds, including flavonoids (nicotiflorin, quercitrin, apiin, vitexin), alkaloids (indole), and phenylpropanoids (umbelliferone, coumarin). These compounds demonstrated strong binding affinity in molecular docking studies, comparable to standard cholesterol-lowering drugs. In silico studies revealed that menteng leaf bioactive compounds could effectively target HMG-CoA reductase, a key enzyme in cholesterol biosynthesis. The findings highlight the potential of these compounds as natural anti-cholesterol drug candidates, warranting further in vivo and clinical investigation. GRAPHICAL ABSTRACT

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