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Investigating the role of phytochemicals in silver nanoparticle as an antibacterial agent using computational and experimental analysis

Designing a powerful approach for the synthesis of metal nanoparticles is a critical footstep in the field of nanotechnology. Algae-mediated synthesis of nanoparticles is a substitute to overthrow the restrictions of traditional methods. Penicillin-binding proteins are proteins binding to β-lactams and are convoluted in cell wall biosynthesis. The present study aimed to investigate the potential role of phytochemicals in inhibiting these penicillin binding proteins against bacterial agents using computational and experimental studies. Biosynthesis of silver nanoparticles was done using aqueous extract of Dictyota bartayresiana and was evaluated for antibacterial activity. Characterization was done via UV-visible spectroscopy, Scanning electron microscopy, Transmission electron microscopy and Xray diffraction studies. It was found that synthesized nanoparticle was spherical in shape and possessed antibacterial property against Staphylococcus aureus and Escherichia coli. Phytochemical screening was performed to identify the chemical constituents present in silver nanoparticles followed by molecular docking studies against penicillin binding proteins found in bacterial strains. In silico designing of silver nanoparticles was done using material science suite followed by probe target interactions. The results displayed a highly stable binding amongst designed nanoparticle and phytochemicals and indicated that the silver nanoparticles possessed antibacterial properties due to phytochemicals present in the extract.