Consulta: creatorFacets:"Scotti,Marcus Tullius"
Registros recuperados: 2
Data/hora: 13/06/2024 21:32:56

Drug discovery and computational strategies in the multitarget drugs era
Provedor de dados: Brazilian Journal of Pharmaceutical Sciences
Autores: Viana,Jéssika de Oliveira; Félix,Mayara Barbalho; Maia,Mayara dos Santos; Serafim,Vanessa de Lima; Scotti,Luciana; Scotti,Marcus Tullius.
The pharmaceutical industry is increasingly joining chemoinformatics in the search for the development of new drugs to be used in the treatment of diseases. These computational studies have the advantage of being less expensive and optimize the study time, and thus the interest in this area is increasing. Among the techniques used is the development of multitarget directed ligands (MTDLs), which has become an ascending technique, mainly due to the improvement in the quality of treatment involving several drugs. Multitarget therapy is more effective than traditional drug therapy that emphasizes maximum selectivity for a single target. In this review a multitarget drug survey was carried out as a promising strategy in several important diseases: neglected...
Tipo: Info:eu-repo/semantics/article
Palavras-chave: Drug design; Multitarget compounds; In silico; Diseases.
Ano: 2018
URL: http://www.scielo.br/scielo.php?script=sci_arttext&pid=S1984-82502018000700409

13C NMR spectral data and molecular descriptors to predict the antioxidant activity of flavonoids
Provedor de dados: Brazilian Journal of Pharmaceutical Sciences
Autores: Scotti,Luciana; Fernandes,Mariane Balerine; Muramatsu,Eric; Emereciano,Vicente de Paula; Tavares,Josean Fechine; Silva,Marcelo Sobral da; Scotti,Marcus Tullius.
Tissue damage due to oxidative stress is directly linked to development of many, if not all, human morbidity factors and chronic diseases. In this context, the search for dietary natural occurring molecules with antioxidant activity, such as flavonoids, has become essential. In this study, we investigated a set of 41 flavonoids (23 flavones and 18 flavonols) analyzing their structures and biological antioxidant activity. The experimental data were submitted to a QSAR (quantitative structure-activity relationships) study. NMR 13C data were used to perform a Kohonen self-organizing map study, analyzing the weight that each carbon has in the activity. Additionally, we performed MLR (multilinear regression) using GA (genetic algorithms) and molecular...
Tipo: Info:eu-repo/semantics/article
Palavras-chave: Flavonoids/antioxidant activity; 13C NMR; Kohonen self-organizing map.
Ano: 2011
URL: http://www.scielo.br/scielo.php?script=sci_arttext&pid=S1984-82502011000200005