Chemical Profiling and Antioxidant, Antimicrobial, and Hemolytic Properties of Euphorbia calyptrata (l.) Essential oils: in Vitro and in Silico Analysis
Fatima El Kamari,
Otmane Zouirech,
Amira Metouekel,
Mohammed Bouslamti,
Imane Maliki,
Abdelfattah El Moussaoui,
Mohamed Chebaibi,
Mohamed Taibi,
Abdulaziz Abdullah Alsahli,
Hiba‐Allah Nafidi,
Mohammed Bourhia,
Musaab Dauelbait,
Abdelfattah Abdellaoui
Affiliations
Fatima El Kamari
Laboratory of Engineering, Electrochemistry, Modeling and Environment Faculty of Sciences Dhar El Mahraz Sidi Mohammed Ben Abdellah University, B. P. 1796 Fes-Atlas Morocco
Otmane Zouirech
Laboratory of Natural Substances, Pharmacology, Environment, Modeling, Health and Quality of Life Faculty of Sciences Dhar El Mahraz University Sidi Mohamed Ben Abdellah Fez Morocco
Amira Metouekel
Euromed Research Center Euromed Faculty of Pharmacy Euromed University of Fez Fez 30000 Morocco
Mohammed Bouslamti
Laboratory of Natural Substances, Pharmacology, Environment, Modeling, Health and Quality of Life Faculty of Sciences Dhar El Mahraz University Sidi Mohamed Ben Abdellah Fez Morocco
Imane Maliki
Laboratory of Health and Environment Department of Biology Moulay Ismail University Meknes 50050 Morocco
Abdelfattah El Moussaoui
Plant Biotechnology Team Faculty of Sciences Abdelmalek Essaadi University Tetouan 93002 Morocco
Mohamed Chebaibi
Biomedical and Translational Research Laboratory Faculty of Medicine and Pharmacy of Fez University of Sidi Mohamed Ben Abdellah Fez 30070 Morocco
Mohamed Taibi
Laboratoire d'Amélioration des Productions Agricoles, Biotechnologie et Environnement (LAPABE) Faculté des Sciences Université Mohammed Premier Oujda 60000 Morocco
Abdulaziz Abdullah Alsahli
Department of Botany and Microbiology College of Science King Saud University P. O. BOX 2455 Riyadh 11451 Saudi Arabia
Hiba‐Allah Nafidi
Department of Food Science Faculty of Agricultural and Food Sciences Laval University, 2325 Quebec City QC G1V 0A6 Canada
Mohammed Bourhia
Laboratory of Biotechnology and Natural Resources Valorization Faculty of Sciences Ibn Zohr University Agadir 80060 Morocco
Musaab Dauelbait
Department of Scientific Translation Faculty of Translation University of Bahri Khartoum 11111 Sudan
Abdelfattah Abdellaoui
Laboratory of Engineering, Electrochemistry, Modeling and Environment Faculty of Sciences Dhar El Mahraz Sidi Mohammed Ben Abdellah University, B. P. 1796 Fes-Atlas Morocco
Abstract In this work, we sought to validate the use of Euphorbia calyptrata (L.), a Saharan and Mediterranean medicinal plant, in traditional pharmacopeia. GC‐MS/MS identified volatile compounds of potential therapeutic interest. Antioxidant tests were performed using β‐carotene decolorization, DPPH radical scavenging, FRAP, beta‐carotene bleaching, and TAC. The antimicrobial activity was evaluated on solid and liquid media for bacterial and fungal strains to determine the zone of inhibition and the minimum growth concentration (MIC) of the microbes tested. The hemolytic activity of these essential oils was assessed on red blood cells isolated from rat blood. Phytochemical characterization of the terpenic compounds by GC‐MS/MS revealed 31 compounds, with alpha‐Pinene dominating (35.96 %). The antioxidant power of the essential oils tested revealed an IC50 of 67.28 μg/mL (DPPH), EC50 of 80.25.08±1.42 μg/mL (FRAP), 94.83±2.11 μg/mL (beta carotene) and 985.07±0.70 μg/mL (TAC). Evaluating solid media‘s antibacterial and antifungal properties revealed a zone of inhibition between 10.28 mm and 25.80 mm and 31.48 and 34.21 mm, respectively. On liquid media, the MIC ranged from 10.27 μg/mL to 24.91 μg/mL for bacterial strains and from 9.32 μg/mL to 19.08 μg/mL for fungal strains. In molecular docking analysis, the compounds naphthalene, shogunal, and manol oxide showed the greatest activity against NADPH oxidase, with Glide G scores of −5.294, −5.218 and −5.161 kcal/mol, respectively. For antibacterial activity against E. coli beta‐ketoacyl‐[acyl carrier protein] synthase, the most potent molecules were cis‐Calamenene, alpha.‐Muurolene and Terpineol, with Glide G‐scores of −6.804, −6.424 and −6.313 kcal/mol, respectively. Hemolytic activity revealed a final inhibition of 9.42±0.33 % for a 100 μg/mL concentration. The essential oils tested have good antioxidant, antimicrobial, and hemolytic properties thanks to their rich phytochemical composition, and molecular docking analysis confirmed their biological potency.
