In Vitro and Molecular Docking Characterization of Polyvinyl Alcohol/Ag <scp>NPs</scp> ‐ <scp> <i>Capparis spinosa</i> </scp> ( <scp>CS</scp> )/Chitosan Hydrogels as Films Antibacterial Surface Contamination
Sameer A. Awad, Ahmed A. Al‐Kubaisi, Mahmood Y. Mukhlif, Eman M. Khalaf, Muhammad Fahad
Abstract
ABSTRACT Antibacterial surfaces are surfaces that can resist bacteria, relying on the nature of the material itself. It is significant for safe food and water, human health, and industrial equipment. This study explores the synthesis and characterization of a novel bio‐composite comprising polyvinyl alcohol (PVA)/Ag NPs‐ Capparis spinosa (CS)/chitosan (CH) for solving antibacterial surface contamination. The structure and uniformity of the prepared PVA/Ag NPs‐CS/CH were confirmed by different characterization techniques including TGA, FTIR, SEM, XRD, and DSC. The antibacterial activity performance of the films revealed very good potential against Staphylococcus aureus , Bacillus spp ., and Pseudomonas aeruginosa (ZOI: −19, −20, and −21 mm, respectively). Molecular docking analyses were performed, which highlighted the docking energies of the best three molecules (Kaempferol and 4‐Feruloylquinic acid) against target proteins. Compound 1 (Kaempferol) has the best docking score value, S = −6.0, −5.8, and −5.7 kcal/mol against proteins 4Q67, 4HYC, and 8DK1, respectively. Compound 2 (4‐Feruloylquinic acid) has an excellent docking score value, S = −7.30, −5.82, and −6.11 kcal/mol against the same selected proteins. In vitro studies pointed toward a sustained release of phytochemicals from Capparis spinosa from the films. These results suggest that this biocompatible, biodegradable hydrogel is a promising antibacterial candidate for surface contamination.