Biological evaluation and molecular docking study of metabolites from Salvadora Persica L. Growing in Egypt
Mohammed M Ghoneim1, Wael M Afifi2, Mohamed Ibrahim3, Mohamed Elagawany4, Maan T Khayat5, Mohamed H Aboutaleb6, Ahmed M Metwaly2
1 Department of Pharmacognosy, Faculty of Pharmacy, Al-Azhar University, Cairo, Egypt; Department of Natural Products, School of Pharmacy, Almaarefa Colleges for Science and Technology, Riyadh, Saudia Arabia
2 Department of Pharmacognosy, Faculty of Pharmacy, Al-Azhar University, Cairo, Egypt
3 Department of Organic Chemistry, College of Pharmacy, Misr University for Science and Technology, Al-Motamayez District, Damnhour, Egypt
4 Department of Pharmaceutical Organic Chemistry, College of Pharmacy, Damnhour University, Damnhour, Egypt
5 Department of Pharmaceutical Chemistry, Faculty of Pharmacy, King Abdulaziz University, Jeddah, Saudia Arabia
6 Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Horus University, New Damietta 34517, Egypt
Ahmed M Metwaly
Department of Pharmacognosy, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo 11884
Source of Support: None, Conflict of Interest: None
Background: Methicillin-resistant Staphylococcus aureus (MRSA) is a resistant staph bacterium to several antibiotics causing several lives-threating diseases such as pneumonia and sepsis. Meswak, Salvadora persica, exhibited promising antimicrobial properties before. Objective: Exploring the anti-MRSA activity of S. persica L. metabolites and its mechanism of action on a molecular level. Materials and Methods: Structure elucidation of the isolated metabolites was carried out by spectroscopic data (one-dimensional and two-dimensional nuclear magnetic resonance). The biological activities of the isolated metabolites against MRSA were evaluated and the molecular mode of action against the dehydrosqualene synthase enzyme have been done. Results: Four compounds have been isolated and identifies to be; apigenin (1), luteolin (2), astragalin (3), and kaempferol-3-O-rhamnoside (4). Compounds 1–4 showed good anti-MRSA activities with IC50 values of 10.3, 11.5, 3.5, and 4.5 μg/mL, respectively. In consistent, astragalin and kaempferol-3 rhamnoside showed close high docking scores. Herein, we are reporting the molecular determinates of activity of these new scaffolds as anti-MRSA, which would be of great importance to developing new anti-MRSA candidates.
Abbreviations Used: 1D: One-dimensional; 2D: Two-dimensional; CC: Column chromatography; COSY: Correlations spectroscopy; DMSO: Dimethyl sulfoxide; HMBC: Heteronuclear multiple-bond correlation experiment; HRESIMS: High-resolution electrospray ionization mass spectrometry; HSQC: Heteronuclear single-quantum correlation; IR: Infrared; MRSA: Methicillin-resistant Staphylococcus aureus; NMR: Nuclear magnetic resonance; RP: Reversed phase; TLC: Thin-layer chromatography; UV: Ultraviolet; VLC: Vacuum liquid chromatography.