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In Silico Pharmacokinetic Profiling, ADMET Prediction, and Drug-Likeness Evaluation of Phenolic Constituents Identified in Honey: Implications for Asthma and Inflammatory Disorders | ||
| Archives of Razi Institute | ||
| مقالات آماده انتشار، پذیرفته شده، انتشار آنلاین از تاریخ 16 شهریور 1405 اصل مقاله (1012 K) | ||
| نوع مقاله: Original Articles | ||
| شناسه دیجیتال (DOI): 10.66224/ari.2026.372939.4141 | ||
| نویسندگان | ||
| Zeliha Selamoglu* 1؛ Eda Sonmez Gurer2؛ Sevgi Durna Dastan3؛ Taner Dastan4؛ Ainash Oshibayeva5؛ Nurdana Salybekova6 | ||
| 1Nigde Omer Halisdemir University | ||
| 2Department of Pharmacy Vocational Sciences, Faculty of Pharmacy, Sivas Cumhuriyet University, Sivas, Türkiye | ||
| 3Sivas Cumhuriyet University, Faculty of Science, Department of Biology, Sivas, Türkiye | ||
| 4Department of Biochemistry, Faculty of Science, Sivas Cumhuriyet University, Sivas, Türkiye | ||
| 5Department of Public Health and Scientific Research, Faculty of Medicine, Khoja Akhmet Yassawi International KazakhTurkish University, Turkestan, Kazakhstan | ||
| 6Department of Biology, Faculty of Sciences, Khoja Akhmet Yassawi International Kazakh-Turkish University, Turkestan, Kazakhstan | ||
| چکیده | ||
| 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 and Methods: In the present study, five phenolic compounds commonly identified honey samples, namely fumaric acid, p-hydroxybenzoic acid, p-coumaric acid, trans-2-hydroxycinnamic acid, and chrysin, were evaluated using the SwissADMET 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 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 = 2.55) and molar refractivity, suggesting enhanced membrane permeability and protein-binding potential. p-Coumaric acid and trans-2-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 P450 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. | ||
| کلیدواژهها | ||
| ADMET؛ BOILED-Egg model؛ Drug-likeness؛ Honey؛ In silico؛ Pharmacokinetics | ||
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