DefinePK

Abstract

Background: Citrus aurantium, a well-known medicinal plant, has demonstrated a variety of therapeutic benefits, such as anti-inflammatory, anti-cancer, and antioxidant properties. Citrus aurantium is abundant in alkaloids and bioactive flavonoids that have been shown to have therapeutic benefits. Objectives: This study aimed to evaluate the 31 phytochemicals from the Citrus aurantium for pharmacokinetic and drug-likeness profiles. Methodology: SwissADME (Swiss Absorption, Distribution, Metabolism, and Excretion) was employed to assess various physicochemical and pharmacokinetic properties of the compounds, including lipophilicity, blood-brain barrier permeability, water solubility, as well as potential structural issues flagged by PAINS (Pan-Assay Interference Compounds) and Brenk's alerts. Results: Swiss ADME analysis concludes that kaempferol, apigenin, and naringenin, in particular, show good oral bioavailability, high gastrointestinal absorption, and adherence to important drug-likeness criteria. Conversely, naringin and hesperidin showed several rule violations and poor absorption. About 27% of the compounds could pass through the blood-brain barrier, while 73% of them had high GI absorption. Additionally, a lot of them were easily produced due to their minimal synthetic complexity. There were a few structural alarms among the leading applicants. Conclusion:  These results imply that Citrus aurantium has attractive lead chemicals for the creation of new drugs. Nevertheless, additional experimental research is required to confirm their therapeutic potential, safety, and effectiveness.