In Silico Pharmacokinetic Profiling, ADME Prediction, and Drug-likeness Evaluation of Phenolic Constituents Identified in Honey: Implications for Asthma and Inflammatory Disorders

Introduction: Honey is a natural product of considerable medicinal interest owing to its diverse phenolic composition and reported therapeutic properties. The honey samples contain a variety of biologically active phenolic compounds; however, the drug-likeness and pharmacokinetic suitability of these constituents have not been systematically characterized. Materials & Methods: In the present study, five phenolic compounds commonly identified honey samples, namely fumaric acid, p-hydroxybenzoic acid, p-coumaric acid, trans-۲- hydroxycinnamic acid, and chrysin, were evaluated using the SwissADME computational platform. Physicochemical properties, lipophilicity, aqueous solubility, pharmacokinetic parameters, drug-likeness compliance, and medicinal chemistry attributes were assessed for each compound. The BOILED-Egg model was employed to predict gastrointestinal absorption and blood-brain barrier (BBB) permeability. Results: All five compounds demonstrated high predicted gastrointestinal absorption and satisfied Lipinski’s rule of five without violations. Among the investigated molecules, chrysin exhibited the highest lipophilicity (consensus log P=۲.۵۵) and molar refractivity, suggesting enhanced membrane permeability and protein-binding potential. P-coumaric acid and trans- ۲-hydroxycinnamic acid displayed the most balanced physicochemical profiles with respect to oral bioavailability. None of the compounds were predicted to be p-glycoprotein substrates or cytochrome P۴۵۰ inhibitors. Conclusion: Given the established anti-inflammatory and immunomodulatory properties attributed to these compound classes in the literature, the present findings support their consideration as candidate molecules for further experimental investigation in the context of inflammatory disorders.

کلیدواژه ها:

ADME ، BOILED-Egg model ، Drug-likeness ، Honey ، In silico ، Pharmacokinetics