The Beekeeping Sector of Kazakhstan and Contributions to the Pharmaceutical Industry: Promising Flavonoids with the Pharmacokinetic Properties Via the Computational Evaluations.

چکیده اصلی

BACKGROUND: Bee products are rich sources of bioactive flavonoids with potential applications in nutraceutical and pharmaceutical research. However, differences in the physicochemical and pharmacokinetic properties of individual flavonoids may substantially influence their drug-likeness and bioavailability. This study aimed to characterize the pharmacokinetic, physicochemical, and drug-likeness profiles of four representative flavonoids commonly associated with bee products myricetin, galangin, kaempferol, and quercetin. METHODS: In silico pharmacokinetic and drug-likeness analyses were performed using the SwissADME web platform. The investigated compounds were evaluated in terms of physicochemical properties, lipophilicity, aqueous solubility, gastrointestinal absorption, blood-brain barrier (BBB) permeability, P-glycoprotein (P-gp) substrate status, and compliance with established drug-likeness rules, including Lipinski, Veber, Egan, and Muegge criteria. RESULTS: All four flavonoids exhibited favorable molecular properties and an identical predicted bioavailability score of 0.55. Galangin, kaempferol, and quercetin showed high predicted gastrointestinal absorption and fully complied with the Lipinski, Veber, Egan, and Muegge drug-likeness criteria. In contrast, myricetin exhibited comparatively lower predicted gastrointestinal absorption, which may be associated with its higher polarity, greater hydrogen-bonding capacity, and elevated topological polar surface area. None of the investigated flavonoids was predicted to penetrate the BBB or to act as a P-gp substrate. Variations in hydroxyl substitution were associated with marked differences in lipophilicity, aqueous solubility, membrane permeability, and overall pharmacokinetic behavior. Among the compounds evaluated, galangin displayed the most balanced physicochemical and medicinal chemistry profile, whereas kaempferol and quercetin also demonstrated favorable characteristics for oral drug development. CONCLUSIONS: The findings indicate that flavonoids associated with Kazakhstan bee products possess distinct but generally favorable drug-likeness and predicted pharmacokinetic profiles. In particular, galangin emerged as the most balanced candidate among the compounds examined. Integrating in silico pharmacokinetic assessment with knowledge of bee-product composition may contribute to the scientific evaluation, quality standardization, and value-added utilization of Kazakhstan's apicultural resources, while providing a basis for further experimental investigation of their nutraceutical and pharmaceutical potential.

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