In Vitro Studies of Biosynthesized Nanoparticles of Dysphania Aqueous Leaves Extract Against Some Isolated Bacteria from Wounds and Burns and In Silico Evaluations of Compounds Identified in its GC-MS Spectra
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Globally, antibacterial resistance is emerging quickly due to various factors. Substitute and more effective medications are essential in the fight against drug-resistant and harmful bacterial species. It has been determined that phytochemicals have great promise in this area. Therefore, considering phytochemicals as a substitute for antibacterial medications can be advantageous. The effectiveness of the silver nanoparticles of Dysphania ambrosioides leaf extract was investigated against six strains of pathogenic bacteria isolated from wounds and burns. Additionally, utilising Lipinski's rule of five drug-likeness characteristics, ten bioactive chemicals from Dysphania ambrosioides were evaluated for bioactivity in this work. To ascertain their pharmacokinetic actions, ligands with appropriate drug similarity and binding energy comparable to the standard medicines were examined further. The antimicrobial results showed that the concentration of 1000 μg/mL gave effectiveness on some bacterial strains (15 mm against Staphylococcus aureus), and the results were compared with some antibiotics (10 mm for vancomycin). The molecular docking of the first ten phytochemicals of the plant extract identified using GC-MS with some active sites of bacterial proteins was studied. It was noted that the best plant component is 1f (1-Octadecanesulphonyl chloride) according to the affinity energy values (-8.10, -8.19, and -8.57 kcal/mol against 3HG7, 1JIJ and 2RHQ proteins). This investigation revealed phytochemicals with binding energies that were on par with typical medications. Additionally, these compounds were shown to be powerful antibacterial agents by ADME, bioactivity score, and bioavailability radar analysis.
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