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    Molecular Docking Study on Interaction of Polyvinyl Alcohol (PVA) with Group IA Bacteriocin
    (Fırat Üniversitesi, 2023) Ünlü, Nihan; Özgen, Arzu; Aksu Canbay, Canan
    PVA with the molecular formula (C2H4O)n is a polymer prepared from polyvinyl acetates by replacing acetate groups with hydroxyl groups. It is a synthetic polymer with low surface tension, flexible and soft, water-soluble and crosslinkable thanks to the hydroxyl groups in its structure, biodegradable and non-toxic due to the carbon bonds in its chain. Bacteriocins are compounds of a protein nature that are ribosomally synthesized by bacteria and suitable for use as a filler in polymer matrices, especially in food packaging systems, and drug design because they are natural antimicrobial compounds sensitive to various enzymes and do not disrupt the physicochemical structure of foods while inhibiting pathogenic microorganisms. Considering their biochemical properties, they are generally divided into 4 different classes. The fact that Nisin and PVA have a structure that can serve a common purpose and have superior properties made us wonder about the interaction and bonding modes between these two. Molecular docking work is important because it prevents time, energy, and economic consumption and prepares the ground for the synthesis of new and advanced materials that are likely to be obtained in the laboratory environment. Therefore, in this study, Nisin bacteriocin (in Group IA) was chosen as the target, and a single monomer of the PVA polymer was chosen as the ligand, and the interaction between them was simulated by molecular docking method. A rational depiction of ligand-protein binding interactions was made.
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    Production and characterization of polyvinyl alcohol films containing essential oil
    (Taylor & Francis Ltd, 2024) Ünlü, Nihan; Özgen, Arzu; Aksu Canbay, Canan
    Packaging plays an important role in protecting foodstuffs against physicochemical damage and microbial activity, as well as extending shelf life. In recent years, petrochemical compounds that cause environmental pollution and contamination due to their non-biodegradability have been replaced by biocompatible polymer-based films in the food packaging industry. Due to aromatic essential oils (EO), various biological activities, and their potential to replace chemical preservatives in the field of food preservation, Star Anise essential oil, which has properties, such as free radical scavenger, antibacterial, antifungal and antiviral, was used as an additive in this study. Biodegradable and biocompatible polyvinyl alcohol (PVA) polymer was used as the matrix and polymer-based films were produced in 3 different concentrations. Spectral analysis, structural, chemical, and thermal characterizations, and surface morphologies of the produced films by the direct incorporation method were examined. In addition, the antibacterial activities of the films on Staphylococcus epidermidis ATCC 12228, Escherichia coli ATCC 25922, and Acinetobacter baumannii ATCC BAA 747 bacteria were investigated. As a result of the examinations, it was determined that an interfacial interaction occurred between the matrix and the filler, and the produced films were thermally resistant and showed antibacterial activity against Gram (+)/Gram (-) bacteria. Consequently, it can be concluded that PVA films containing Star Anise essential oil present a prospective substitute in a variety of industrial packaging systems, including those for food, medicine, and cosmetics.
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    The Interaction of AFB1 Aflatoxin and Lactococcin A; Molecular Docking
    (Sakarya University, 2024) Özgen, Arzu; Ünlü, Nihan; Aksu Canbay, Canan
    Aflatoxins (AF), which cause diseases in humans and animals, are mycotoxins produced by certain types of fungi. Bacteriocins are natural antimicrobial substances synthesized by bacteria. These substances that are in protein structure, generally have short chain and small molecular weight. According to the classification made by Klaenhammer, especially considering Gram (+) bacteria, bacteriocins are divided into 4 different classes. These are Class I (Class IA, Class IB), Class II (Class IIA, Class IIB, Class IIC, Class IID), Class III and Class IV. Enterocin A, Sakacin A, Lactococcin A can be given as examples of Class II bacteriocins. In this study, we examined the interaction of AFB1 aflatoxin (ligand) and Lactococcin A (protein) bacteriocin, which is in Class II, using Molecular Docking. The results showed that Lactococcin A molecule have the potential to be used for aflatoxin degradation.