Phytochemical Contents and Antioxidant Activity Paliurus Spina-Christi Miller Leaf and Seed Extracts: PASS Predictions, In Silico Studies on Xanthine Oxidase and Cytochrome P450 1A1

Abstract

Paliurus spina-christi Miller (PSC) is a shrub plant with important biological activities. For this reason, the phytochemical and biological activities of the PSC leaf and seed extracts were investigated in our study. This study performs phytochemical analyses (total phenol and flavonoid content, LC-ESI-MS/MS, and GC-MS/MS) and bioactivity assays (antioxidant) for the PSC leaves and seeds. In silico study and PASS prediction of main compounds in LC-ESI-MS/MS and GC-MS/MS analysis were also investigated. The leaf extract showed a high total phenolic and flavonoid content. In addition, the contents of hesperidin (25.548 mg/g extract) were high in the LC-ESI-MS/MS and GC-MS/MS analyses. It was noted that the leaf extract's antioxidant activities were higher than standard. The molecular docking of hesperidin with xanthine oxidase and cytochrome P450 1A1 had high MolDock score (-179.68, -149.156) and binding energy (-11.40 kcal/mol, -9.90 kcal/mol), respectively. This investigation pioneered using PSC leaf extracts as food supplements and medicine.

Keywords

• Paliurus spina-christi Miller
• Phytochemical content
• Antioxidant activity
• Molecular Docking
• PASS prediction

References

1. 1. Jomova, K., et al., Reactive oxygen species, toxicity, oxidative stress, and antioxidants: chronic diseases and aging. Arch Toxicol, 2023. 97(10): p. 2499-2574.10.1007/s00204-023-03562-9.
2. 2. Yan, Q., et al., GmCYP82A3, a soybean cytochrome P450 family gene involved in the jasmonic acid and ethylene signaling pathway, enhances plant resistance to biotic and abiotic stresses. PloS one, 2016. 11(9): p. e0162253
3. 3. Hou, Z., et al., Overview of the pharmacokinetics and pharmacodynamics of URAT1 inhibitors for the treatment of hyperuricemia and gout. Expert Opinion on Drug Metabolism & Toxicology, 2023. 19(12): p. 895-909
4. 4. Singh, J.V., et al., Xanthine oxidase inhibitors: patent landscape and clinical development (2015–2020). Expert Opinion on Therapeutic Patents, 2020. 30(10): p. 769-780
5. 5. Kaya, E. and L. Arslan, Investigation of Antimicrobial and Antioxidant Activities of Paliurus spina-christi Mill. in Kahramanmaras, Turkey. Kahramanmaraş Sütçü İmam Üniversitesi Tarım ve Doğa Dergisi, 2021. 24(6): p. 1161-1169.10.18016/ksutarimdoga.vi.835763.
6. 6. Güner, N.D., Paliurus spina-chiristi Mill. Üzerinde Farmakognozik Araştırmalar. Hacettepe University Institute of Medical Sciences, 2005. ankara
7. 7. Eminağaoğlu, Ö., Artvin'in doğal bitkileri. 2015
8. 8. Erşen Bak, F. and K. Çifci, Artvin’in merkez köylerinde bazı tıbbi bitkilerin yöresel kullanımları. Artvin Çoruh Üniversitesi Orman Fakültesi Dergisi, 2020. 21(2): p. 318-329.10.17474/artvinofd.782235.

9. 9. Erşen Bak, F. and K. Çifci, Artvin’in merkez köylerindeki bazı bitkilerin etnobotanik özellikleri. Artvin Çoruh Üniversitesi Orman Fakültesi Dergisi, 2022. 23(2): p. 50-62.10.17474/artvinofd.1128335.
10. 10. Harşıt, B., Doğu Karadeniz Bölgesi'nde halk arasında tıbbi amaçlı kullanılan bazı bitkilerin antioksidan aktivitelerinin incelenmesi in Fen Bilimleri Enstitüsü. 2015, Artvin Çoruh Üniversitesi
11. 11. Bozyel, M.E. and E. Merdamert-Bozyel, Antiurolithiatic Activity of Medicinal Plants in Turkey. 2018. p. 152-167 12. Başar, Y., et al., Phytochemical profiling, molecular docking and ADMET prediction of crude extract of Atriplex nitens Schkuhr for the screening of antioxidant and urease inhibitory. International Journal of Chemistry and Technology, 2024.10.32571/ijct.1389719.
12. 13. Cravotto, C., et al., Towards Substitution of Hexane as Extraction Solvent of Food Products and Ingredients with No Regrets. Foods, 2022. 11(21): p. 3412
13. 14. Golmakani, E., et al., Phenolic and flavonoid content and antioxidants capacity of pressurized liquid extraction and perculation method from roots of Scutellaria pinnatifida A. Hamilt. subsp alpina (Bornm) Rech. f. The Journal of Supercritical Fluids, 2014. 95: p. 318-324. https://doi.org/10.1016/j.supflu.2014.09.020.
14. 15. Mohamed, R., M. Pineda and M. Aguilar, Antioxidant capacity of extracts from wild and crop plants of the Mediterranean region. Journal of Food Science, 2007. 72(1): p. S059-S063. https://doi.org/10.1111/j.1750-3841.2006.00207.x.
15. 16. Blois, M.S., Antioxidant determinations by the use of a stable free radical. Nature, 1958. 181(4617): p. 1199-1200. https://doi.org/10.1038/1811199a0.
16. 17. Başar, Y., et al., Molecular docking, molecular dynamics, MM/PBSA approaches and bioactivity studies of nepetanudoside B isolated from endemic Nepeta aristata. Journal of Biomolecular Structure and Dynamics, 2024: p. 1-14.https://doi.org/10.1080/07391102.2024.2309641.
17. 18. Yenigun, S., et al., A potential DNA protector, enzyme inhibitor and in silico studies of daucosterol isolated from six Nepeta species. Process Biochemistry, 2024. 143: p. 234-247.https://doi.org/10.1016/j.procbio.2024.04.039.
18. 19. Lagunin, A., et al., PASS: prediction of activity spectra for biologically active substances. Bioinformatics, 2000. 16(8): p. 747-748. https://doi.org/10.1093/bioinformatics/16.8.747.
19. 20. Takım, K. and M. Işık, Phytochemical analysis of Paliurus spina-christi fruit and its effects on oxidative stress and antioxidant enzymes in streptozotocin-induced diabetic rats. Applied biochemistry and biotechnology, 2020. 191(4): p. 1353-1368
20. 21. Takım, K., Bioactive component analysis and investigation of antidiabetic effect of Jerusalem thorn (Paliurus spina-christi) fruits in diabetic rats induced by streptozotocin. Journal of Ethnopharmacology, 2021. 264: p. 113263 22. Zengin, G., et al., Phytochemical profile and biological activities of different extracts of three parts of Paliurus spina-christi: A linkage between structure and ability. Antioxidants, 2023. 12(2): p. 255
21. 23. Şen, A., Antioxidant and anti-inflammatory activity of fruit, leaf and branch extracts of Paliurus spina-christi P. Mill. Marmara Pharmaceutical Journal, 2018. 22(2)
22. 24. Grande, F., et al., Molecular Docking Studies and In Vitro Activity of Paliurus spina-christi Mill Extracts as Pancreatic Lipase Inhibitors. Antioxidants, 2024. 13(2): p. 160