Exploring the therapeutic potential of Kirkia tenuifolia Engl. stem bark extract and its bioactive compounds through experimental and computational approaches.

Gashaw Nigussie, Sumera Zaib, Aman Dekebo, Asfaw Meressa, Temesgen Negassa, Menberework Chanyalew, Vladimir V Zarubaev, Abiy Abebe, Markos Abebe, Mo Hunsen, Milkyas Endale

Journal: Scientific reports 2025;15(1):38406

PMID: 41184353

Free Full Text on Nature Publishing Group View on PubMed

Abstract

Kirkia tenuifolia Engl. (family Kirkiaceae) is traditionally used to treat cholera, alleviate thirst, and serves as an important water source and livestock feed in arid regions. However, to date, no scientific study has been conducted on its chemical composition and pharmacological properties. Therefore, the present study aimed to isolate and identify the chemical constituents from the stem bark of Kirkia tenuifolia Engl and evaluate their pharmacological activities. Silica gel chromatographic separation of the methanol extract afforded nine compounds (1-9), identified herein for the first time from this species. Among them, lupeol (2) exhibited notable antibacterial activity with an MIC of 0.625 mg/mL against E. coli, S. typhi, and P. aeruginosa. Dimethylfraxetin (5), urolithin M5 (6) and urolithin M5 (7) showed antibacterial activity with an MIC of 0.625 mg/mL against E. coli and P. aeruginosa. Compounds 2, 5, 6, and 7 demonstrated potent antioxidant activities in the DPPH assay, with IC₅₀ values ranging from 2.58 to 9.00 µg/mL. The methanol extract showed significant cytotoxicity against MCF-7 breast cancer cells (34.96% viability at 200 µg/mL) and antiviral activity against influenza A (H1N1) (CC₅₀ = 39.8, IC₅₀ = 4.2 µg/mL, SI = 9.1). Molecular docking revealed that compound 7 exhibited higher binding affinities with S. aureus pyruvate kinase (-7.2 kcal/mol) and L. monocytogenes receptor (-7.4 kcal/mol) compared to ciprofloxacin (-5.6 and - 6.2 kcal/mol, respectively). Lupeol (2) showed stronger binding to Prdx5 (-6.1 kcal/mol) than ascorbic acid (-5.2), while compounds 2, 5, 6, and 7 bound more strongly to human myeloperoxidase (-7.4 to -8.6) than ascorbic acid (-4.8). These findings support the therapeutic potential of Kirkia tenuifolia Engl, but further studies are needed to confirm its effects against diverse pathogens and cell lines.

Address: Traditional and Modern Medicine Research and Development Directorate, Armauer Hansen Research Institute, P.O.Box 1005, Addis Ababa, Ethiopia.; Communicable and Non-Communicable Research Directorate, Armauer Hansen Research Institute, P.O.Box 1005, Addis Ababa, Ethiopia.; Department of Applied Chemistry, School of Applied Natural Science, Adama Science and Technology University, P.O.Box 1888, Adama, Ethiopia.; Department of Basic and Applied Chemistry, Faculty of Science and Technology, University of Central Punjab, Lahore, 54590, Pakistan.; Department of Applied Chemistry, School of Applied Natural Science, Adama Science and Technology University, P.O.Box 1888, Adama, Ethiopia. [email protected].; Traditional and Modern Medicine Research and Development Directorate, Armauer Hansen Research Institute, P.O.Box 1005, Addis Ababa, Ethiopia.; Communicable and Non-Communicable Research Directorate, Armauer Hansen Research Institute, P.O.Box 1005, Addis Ababa, Ethiopia.; Virology Department, St. Petersburg Pasteur Institute, 14 Mira st, St. Petersburg, Russia.; Department of Chemistry, Kenyon College, Gambier, OH, 43022, USA.; Traditional and Modern Medicine Research and Development Directorate, Armauer Hansen Research Institute, P.O.Box 1005, Addis Ababa, Ethiopia. [email protected].

DOI: 10.1038/s41598-025-22247-0

Link outs

Free resources

Full Text Sources:

https://doi.org/10.1038/s41598-025-22247-0

Medical:

https://medlineplus.gov/antibiotics.html

Miscellaneous:

https://assays.cancer.gov/CPTAC-572

Research Materials:

https://antibodies.cancer.gov/detail/CPTC-MPO-1

MeSH Terms: Plant Extracts, Humans, Plant Bark, Anti-Bacterial Agents, Molecular Docking Simulation, Antioxidants, Microbial Sensitivity Tests, Pseudomonas aeruginosa, Antiviral Agents, Pentacyclic Triterpenes, Plant Stems, Lupanes