Browsing by Author "Ramos, Igor F. S."
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- Biopolymer from Annona muricata residues as a potential sustainable raw material for industrial applicationsPublication . Ramos, Igor F. S.; Dias, Samuel C.; Lopes, Talissa B. C.; Júnior, Francisco T. dos S. Silva; Araújo, Ricardo de; Gutierrez, Stanley J. C.; Pessoa, Claudia; Osajima, Josy A.; Rizzo, Marcia S.; Silva-Filho, Edson C.; Amorim, Manuela; Ramos, Óscar; Ribeiro, Alessandra B.; Costa, Marcilia P.Annona muricata is a fruit species belonging to the Annonaceae family, which is native to the warmer tropical areas of North and South America. A large amount of discarded residue from A. muricata is of interest for obtaining new industrial inputs. To propose the applications of the biopolymer from A. muricata residues (Biop_AmRs), this study aimed to characterize this input chemically and functionally, as well as to evaluate its potential for hemocompatibility and cytotoxicity activity in vitro. Biop_AmRs is an anionic heteropolysaccharide composed of glucose, arabinose, xylose, galactose, mannose, uronic acid, and proteins. This biopolymer exhibited a semicrystalline structure and good thermal stability. Biop_AmRs exhibited excellent water holding capacity, emulsifying properties, and mucoadhesiviness and demonstrated hemocompatibility and cytocompatibility on the L929 cell line. These results indicate possible applications for this biopolymer as a potential environmentally friendly raw material in the food, pharmaceutical, biomedical, and cosmetic industries.
- Characterization of the interaction of a novel anticancer molecule with PMMA, PCL, and PLGA polymers via computational chemistryPublication . Montenegro, Edwar D.; Nunes, Jamylle M.; Ramos, Igor F. S.; Almeida, Renata G.; Júnior, Eufrânio N. da Silva; Rizzo, Márcia S.; Silva-Filho, Edson C. da; Ribeiro, Alessandra B.; Silva, Heurison S.; Costa, Marcília P.The development of anticancer drugs is costly and time intensive. Computational approaches optimize the process by studying molecules such as naphthoquinones. This research explores the quantitative structure–activity relationship (QSPR) and molecular interactions among 2,2-dimethyl-3-((3-nitrophenyl)amino)-2,3-dihydronaphtho[1,2-b]furan-4,5-dione (QPhNO2), a Nor-β-Lapachone derivative with anticancer properties, and the following polymers for nanoencapsulation: polymethyl methacrylate (PMMA), polycaprolactone (PCL), and poly-lactic-co-glycolic acid (PLGA). Spartan 14 optimized the compounds using density functional theory (DFT), while ArgusLab performed docking, and Discovery Studio analyzed post-docking results. Simulations indicated that polymers with larger energy gaps are more stable and less prone to deformation than QPhNO2, facilitating interaction with polymer chains. The binding energies for PMMA/QPhNO2, PCL/QPhNO2, and PLGA/QPhNO2 interactions were −4.607, −4.437, and −1.814 kcal/mol, respectively. Docking analysis revealed non-bonded interactions between polymers and QPhNO2. These findings highlight the role of computational methods in nanoencapsulation and molecular characterization, guiding the development of future analogs and combinations.