Bacterial nanocellulose and long-chain fatty acids interaction
نویسندگان
چکیده
Chronic wounds are a big challenge in contemporary society, as they lead to decrease life-quality, amputations and even death. Infections biofilm formation might occur with chronic wounds, due the higher susceptibility antibiotic multi-resistant bacteria. In this situation, novel wound dressing biomaterials needed for treatment. Thus, aim of research was evaluate possible BNC interaction tucumã oil/butter-derived fatty acids, system could be promising biomaterial treating. The between cellobiose (BNC basic unit) four acids evaluated by ab initio simulations density functional theory (DFT), through SIESTA code. Molecular docking also used investigate effect releasing studied quorum-sensing proteins Pseudomonas aeruginosa (gram-negative bacterium) Staphylococcus aureus (gram-positive bacterium). According simulations, derived from oil/butter suggested physical adsorption (energy around 0.17-1.33 eV) lipidic structures into cellobiose. A great binding affinity (∆G ranging 4.2-8.2 kcal.mol-1) observed both protonated deprotonated against P. (LasI, LasA Rhlr) S. (ArgA ArgC) proteins, indicating that these bioactive compounds act potential antimicrobial and/or antibiofilm agents proposed system. Hence, theoretical viewpoint, raw production dressings.
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ژورنال
عنوان ژورنال: International journal for innovation education and research
سال: 2022
ISSN: ['2411-2933']
DOI: https://doi.org/10.31686/ijier.vol10.iss12.4027