Analysis and preparation of phenolic and alkaloid compounds from Moroccan Berberis vulgaris organic extract: Molecular docking and optimization by UHPLC/DAD/ESI-MS

Volume 7, Issue 02, Pages 29-44, Jun 2024 *** Field: Environmental Analytical Chemistry

  • Zefzoufi Manal Laboratory of Bioorganic Chemistry, Department of Chemistry, Faculty of Sciences, University Chouaïb Doukkali, El Jadida and Laboratory of Sustainable Research Development and Health, Faculty of Sciences and Techniques, University Cadi Ayyad, Marrakech
  • El Mansouri Az-Eddine Department of Chemistry, University of the Free State, P.O. Box 339, Bloemfontein 9300, South Africa
  • Ait El Had Mustapha Department of Fundamental Sciences, Faculty of Medicine and Pharmacy, and Dentistry of Fez, Sidi Mohamed Ben Abdellah University of Fez, Morocco
  • Bouamama Hafida Laboratory of Sustainable Research Development and Health, Faculty of Sciences and Techniques, University Cadi Ayyad, Marrakech
  • Belaqziz Majdouline, Corresponding Author Laboratory of Water, Biodiversity and Climate Change, Faculty of Sciences Semlalia, University Cadi Ayyad, Marrakech and Platform chromatographic, Innovation City, University Cadi Ayyad, Marrakech
  • Sammama Amal Platform chromatographic, Innovation City, University Cadi Ayyad, Marrakech
  • Outaki Meriem Laboratory of Applied Chemistry and Environment, Faculty of Sciences and Technologies, University Hassan I, Settat
  • Elmasloumi Mohamed Mohamed Laboratory SCIMATOP Faculty of Sciences Semlalia, University Cadi Ayyad, Marrakech and TCPAM, Polydisciplinary Faculty of Sciences University Sultan Moulay Slimane, Beni-mellal
Keywords: Analytical method, Alkaloids and phenolic compounds, Ultra-high-performance liquid chromatography, Tandem electrospray ionization mass spectrometry, Berberis vulgaris


Among the natural products, phenolic and alkaloid compounds have the most important constituents and common plant-derived secondary metabolites, and thus, analysis deserves particular attention for their therapeutic proprieties. In this study, the phenolic and alkaloid compounds were analyzed using ultra-high-performance liquid chromatography coupled with diode array detector-tandem electrospray ionization mass spectrometry (UHPLC/DAD/ESI-MS) for three extracts of Moroccan Berberis vulgaris L. Then we optimized and validated results for four phenolic compounds. To evaluate the biological activity of this species we chose the antimicrobial activity. For the antimicrobial activity of these extracts, we used molecular docking analysis of the compounds identified with DNA gyrase. The method validation results showed a good linear (R2>0.99) with the coefficient correlation and the significance of regression tests confirmed a linear relationship between x and y. Two concentrations of phenolic and alkaloid compounds (31.25 mg L-1 and 500 mg L-1) were determined by the UHPLC/DAD/ESI-MS and used in repeatability tests, the relative standard deviation of 10 repetitions varied to 0.35-2.33 with CV% 1.1-2%. In addition, the analytical method is sensitive, accurate, and precise (CV<5%). The analytical method successfully set for robust quality evaluation and standardization of phenolic and alkaloid compounds from B. vulgaris organic extract.



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How to Cite
Manal, Z., Az-Eddine, E. M., Mustapha, A. E. H., Hafida, B., Majdouline, B., Amal, S., Meriem, O., & Mohamed, E. M. (2024). Analysis and preparation of phenolic and alkaloid compounds from Moroccan Berberis vulgaris organic extract: Molecular docking and optimization by UHPLC/DAD/ESI-MS. Analytical Methods in Environmental Chemistry Journal, 7(02), 29-44.
Original Article