in silico Investigations on Wound Healing Activity, Toxicity and Pharmacokinetic Profiles of Molecules Obtained from Cotinus Coggygria Plant

Authors : Çiğdem Bilkan, Burhan Ertekin, Elçin Özgür Büyükatalay, Mustafa Tuğfan Bilkan

Pages : 99-111

Doi:10.46810/tdfd.1647612

View : 75 | Download : 161

Publication Date : 2025-12-30

Article Type : Research Paper

Abstract :Cotinus coggygria, also known as the \\\"smoke tree\\\" among the public, positively affects wound healing mechanisms. In this study, it was aimed to determine the toxicity and pharmacokinetic profiles of Gallic acid, Myricetin, Quercetin, Fisetin, Sulfuretin, Butin, and Taxifolin compounds found in the extract obtained from the leaves of the Cotinus coggygria plant by in silico methods. It also aimed to determine which of these molecules are more effective in wound healing. Toxicity predictions of the compounds were performed using in silico modeling techniques. Pharmacokinetic properties were also obtained by utilizing structure-activity relationships. In addition, the wound-healing potentials of each compound were determined by molecular docking analyses. The study results showed that gallic acid, butine, and taxifolin molecules had the highest LD50 values (lowest toxicity) among the studied compounds, with approximately 2000 mg/kg. The study results also revealed that the wound-healing effects of the plant were primarily due to butine, sulfuretin, and fisetin molecules with energy values of -6.12 kcal/mol, -5.58 kcal/mol, and -5.50 kcal/mol, respectively, from their interactions with the relevant pathway, TGF-β protein. The toxicity and wound-healing effects of molecules found in the extract obtained from the leaves of the Cotinus coggygria plant were determined, thus providing useful preliminary information for future studies and medical research with these molecules.
Keywords : Cotinus coggygria, Yara iyileşmesi, in silico araştırmalar, Farmakokinetik Profil ve Toksisite

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