Tipo:	Trabalho de Conclusão de Curso
Título:	Pharmacophoric modeling in the investigation of compounds with chemoprotective potential present in the species Mauritia flexuosa
Título(s) alternativo(s):	Pharmacophoric modeling in the investigation of compounds with chemoprotective potential present in the species Mauritia flexuosa
Autor(es):	Menezes, Isabel Cristina Borges de Camara, João Pedro Carrijo Cunha
Primeiro Orientador:	Borges, Leonardo Luiz
metadata.dc.contributor.referee1:	Ribeiro, Andrea Alves
metadata.dc.contributor.referee2:	Teófilo, Monatha Nayara Guimarães
Resumo:	The extract of Mauritia flexuosa, popularly known as “buriti” is rich in bioactive compounds and is characterized as a rich species with antioxidant, antimicrobial, antiplatelet, antitumor, and antilipemic activity. Our methods include using in silico tools to assess biological activities, dynamics, and toxicity prediction. We also performed pharmacophore modeling studies. We found phenolic compounds, flavonoids, carotenoids, fatty acids, and phytosterols. Five flavonoids have predicted chemoprotective activity and affinity for receptors and spatial alignment between the chemical marker present in the M. fleuxosa species and the five ligands with lower IC50 values capable of interacting with their respective targets. In silico pharmacophoric analyzes showed that the most promising structures present in the extract were kaempferol, quercetin, luteolin, apigenin, and caffeic acid, which presented structural alignments according to the analyses. This work opens perspectives to direct future studies in vitro and in vivo with the molecules found during the investigations.
Palavras-chave:	Medicinal plants Arecaceae Flavonoids In silico
CNPq:	CNPQ::CIENCIAS DA SAUDE::FARMACIA::ANALISE E CONTROLE E MEDICAMENTOS
Idioma:	eng
País:	Brasil
Editor:	Pontifícia Universidade Católica de Goiás
Sigla da Instituição:	PUC Goiás
metadata.dc.publisher.department:	Escola de Ciências Médicas e da Vida
Tipo de Acesso:	Acesso Aberto
URI:	https://repositorio.pucgoias.edu.br/jspui/handle/123456789/4692
Data do documento:	26-Mai-2022
Aparece nas coleções:	TCC Medicina

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