PROPOSIÇÃO DE UM CURATIVO UTILIZANDO NANOCELULOSE E NANOPARTÍCULAS CONTENDO MANTEIGA E ÓLEO DE TUCUMÃ – UM ESTUDO IN SILICO

• Autor(a) principal: Oviedo, Vinícius Rodrigues
• Data de Publicação: 2022
• Tipo de documento: Dissertação
• Idioma: por
• Título da fonte: Repositório Institucional Universidade Franciscana
• Texto Completo: http://www.tede.universidadefranciscana.edu.br:8080/handle/UFN-BDTD/1068
• topic: nanofibras, manteiga de tucumã, óleo de tucumã, Astrocaryum vulgare.; nanofibers, tucumã butter, tucumã oil, Astrocaryum vulgare.; Interdisciplinar

Skin is the major organ of the human body, and it plays fundamental biological roles. In this sense, chronic wounds are common problems in contemporary society, as they decrease their life quality and can lead to amputation and death. It is known that these kinds of wounds, which affect about 70 million patients worldwide, are aggravated by infections caused by antibiotic resistant bacteria. This scenario requires new treatment approaches then. Similarly, kombucha is a fermented drink that has been increasingly consumed/produced in Brazil and around the world. During the production of kombucha, a jelly-like membrane with variable thick is formed as a byproduct at the liquid-vapor interface, and this membrane is chemically composed of bacterial nanocellulose. Due to its nanofibrous network, that membrane displays unique properties that can be used to produce wound dressings to be applied in chronic wounds treatment. However, as this waste material lacks antimicrobial activity, structural impregnation with antimicrobial agents is required. Therefore, the present work aimed at evaluating, in the in silico viewpoint, the impregnation of bacterial nanocellulose with tucuman oil and butter, as well as investigating the effect of these lipids over two bacteria classified with high criticality in healthcare systems, according to World Health Organization. To investigate the possible interaction between bacterial nanocellulose and the tucuman oil and, ab initio calculations were used through SIESTA. That investigation was based on the Density Functional Theory (DFT) and relied on the interaction of cellobiose (biopolymer's basic unit) and the major fatty acids of tucuman oil and butter. To analyze the effect of tucuman oil/butter major fatty acids (potential antimicrobial/antibiofilm agents) releasing, molecular docking was used against quorum sensing proteins of Pseudomonas aeruginosa (gram-negative) and Staphylococcus aureus (gram-positive) bacteria. According to ab initio calculations, the impregnation of bacterial nanocellulose with tucuman oil and butter could be suggested through physical adsorption of major fatty acids of tucuman oil and butter and the cellobiose unit. Moreover, it was observed binding affinity between proteins 1R05, 3IT7, 6CC0, of P. aeruginosa; 4G4K and 4BXI, of S. aureus and the major fatty acids of tucuman oil and butter. That indicates the potentiality of these structures serving as antimicrobial and/or antibiofilm agents.