Phytochemical constituents, antioxidant and antimicrobial properties of methanolic extracts of Egyptian Zilla spinosa with molecular docking analysis

Hefny Gad, Mahmoud; Elsawi, Nagwa Mohamed; Olish, Mohamed; Abdou, Aly; Geweely, Neveen Saleh

doi:10.21608/ejchem.2025.365593.11395

Phytochemical constituents, antioxidant and antimicrobial properties of methanolic extracts of Egyptian Zilla spinosa with molecular docking analysis

Articles in Press

Document Type : Original Article

Authors

¹ Department of Medicinal and Aromatic Plants, Horticulture Institute, Agricultural Research Center

² Department of Chemistry, Faculty of Science, Sohag University, Sohag, 82524, Egypt

³ lab of biochemistry, Chemistry Department, Faculty of Science, Sohag University

⁴ Department of chemistry, faculty of science, Sohag University, Sohag, 82524, Egypt

⁵ Botany and Microbiology Department, Faculty of Science, Cairo University, Giza 12613, Egypt.

10.21608/ejchem.2025.365593.11395

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.

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