Phytochemical constituents, antioxidant and antimicrobial properties of methanolic extracts of Egyptian Zilla spinosa with molecular docking analysis | ||||
| Egyptian Journal of Chemistry | ||||
| Articles in Press, Accepted Manuscript, Available Online from 22 July 2025 | ||||
| Document Type: Original Article | ||||
| DOI: 10.21608/ejchem.2025.365593.11395 | ||||
 View on SCiNiTO | ||||
| Authors | ||||
Mahmoud Hefny Gad  1; Nagwa Mohamed Elsawi2; Mohamed Olish3; Aly Abdou4; Neveen saleh Geweely5
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| 1Department of Medicinal and Aromatic Plants, Horticulture Institute, Agricultural Research Center | ||||
| 2Department of Chemistry, Faculty of Science, Sohag University, Sohag, 82524, Egypt | ||||
| 3lab of biochemistry, Chemistry Department, Faculty of Science, Sohag University | ||||
| 4Department of chemistry, faculty of science, Sohag University, Sohag, 82524, Egypt | ||||
| 5Botany and Microbiology Department, Faculty of Science, Cairo University, Giza 12613, Egypt. | ||||
| Abstract | ||||
| This study aims to assess the total phenolic and flavonoid contents, antioxidant, antibacterial effects, and to identify the chemical constituents of two methanolic extracts of Zilla spinosa (ZS1 and ZS2) using gas chromatography mass spectrometry (GC-MS). ZS1 revealed the highest TFC and TPC; 18.83 ± 0.17 mg quercetin equivalent/g dry weight of plant, and 24.20 ± 0.67 mg gallic acid equivalent/g dry weight of plant, respectively. ZS1 showed the highest radical scavenging activity. Varied bioactive compounds were identified as main compounds in ZS1, Lupeol, Lup-20(29)-ene-3, 28-diol, (3á)-, 13-Docosenamide (z)-, Mome inositol, and (9,19-Cyclolanost-24-en-3-ol, acetate, (3á)-), while for ZS2 were Mome inositol, and 13-Docosenamide (z)-. All tested multidrug-resistant bacteria were completely inhibited at 1000 mg/mL and 600 mg/mL of ZS1 and ZS2, respectively. P. Mirabilis was the most susceptible species, while the highest resistance was recorded with K. pneumoniae. However, C. parapsilosis and A. flavus were the most susceptible and resistant species. Molecular docking simulations revealed strongest binding energies of 1-(1-Methoxycyclopropyl)-3-methylbut-2-en-1-ol, Mome inositol, n-Hexadecanoic acid, Methyl 9-cis,11-trans-octadecadienoate, and 6-Octadecenoic acid, methyl ester with dihydropteroate synthase. In conclusion, the extracts of Z. spinosa are rich in Mome inositol, 13-Docosenamide, and Cyclolanost; thus, this plant may be utilized as a natural antioxidant and antimicrobial agents against several disorders. | ||||
| Keywords | ||||
| Zilla spinosa; TPC &; TFC; Antioxidant activity, Antimicrobial activity; GC-MS analysis; Molecular docking analysis | ||||
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