Detalhes bibliográficos
| Ano de defesa: |
2022 |
| Autor(a) principal: |
Dutra, Nara Saraiva |
| Orientador(a): |
Cadoná , Francine Carla |
| Banca de defesa: |
Weis , Grazielle Castagna Cezimbra,
Martins , Juliana Saibt |
| Tipo de documento: |
Dissertação
|
| Tipo de acesso: |
Acesso aberto |
| Idioma: |
por |
| Instituição de defesa: |
Universidade Franciscana
|
| Programa de Pós-Graduação: |
Mestrado em Ciências da Saúde e da Vida
|
| Departamento: |
Ciências da Saúde e da Vida
|
| País: |
Brasil
|
| Palavras-chave em Português: |
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| Palavras-chave em Inglês: |
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| Área do conhecimento CNPq: |
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| Link de acesso: |
http://www.tede.universidadefranciscana.edu.br:8080/handle/UFN-BDTD/1106
|
Resumo: |
Natural products have been increasingly studied in the search to for therapeutic agents with reduced or no adverse effects. This is because these functional products have numerous bioactive molecules in their chemical matrix, which are known to perform remarkable medicinal properties. In this scenario, it is possible to highlight caffeine, (+)-catechin, and theobromine, which are present in many natural extracts, such as coffee, guarana, and cocoa. Previous studies have already reported that these molecules perform important biological activities, such as antioxidant, anti inflammatory, and anti-tumor activities. However, further investigations are still needed, such as baseline screening studies, to elucidate the mechanism of action exerted by such molecules, as well as their complementary medicinal properties, in order to foster studies aimed at the development of new therapies for the prevention and treatment of various dysfunctions. Therefore, this research aimed to analyze the biological activities of caffeine, (+)-catechin and theobromine in silico. For this end, we used the PubChem database, from the NIH (National Institutes of Health), to obtain the SMILE canonical form of bioactive molecules, and the free software PASS Online (Prediction of Activity Spectra for Substances), from the Way2Drug portal. Simultaneous predictions of many types of biological activities of these molecules were observed based on the structure of their compounds, estimating the probability of their being active (Pa) and being inactive (Pi) in percentage format. The set of results found in this study suggested that caffeine, (+)-catechin, and theobromine have excellent antioxidant, anti-inflammatory, and anticarcinogenic biological properties, as well as protection against diabetes, cardiovascular, neurological, allergic, and respiratory diseases, and numerous other therapeutic activities These findings can be elucidated through the modulation exerted by these bioactive molecules in many biochemical pathways involved in body homeostasis. The benefits that natural antioxidants bring to the human body are considerable, as is verifiable both through literature research and on PASS Online. Their bioactive effects assist in the prevention and treatment of numerous diseases. Taking this into account, further studies in this area should be conducted for developing better treatment and prevention of numerous dysfunctions and, consequently, ensure the promotion of human health. |
