Doutorado em Química

URI Permanente para esta coleção

http://repositorio.ufes.br/handle/10/17501

Nível: início
Ano de início: 2014
Conceito atual na CAPES: 5
Ato normativo: Homologação da 85ª Reunião do CTC-ES, Parecer CNE/CES nº 163/2005.
Processo nº 23001.000081/2005-56 do Ministério da Educação.
Publicado no DOU 28/07/2005, seção 1, página 11)
Periodicidade de seleção: Anual
Área(s) de concentração: Química
Url do curso: https://quimica.vitoria.ufes.br/pt-br/pos-graduacao/PPGQ/detalhes-do-curso?id=956/a>

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Navegando Doutorado em Química por Autor "Andrade, Jean Paulo de"

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    Identificação de alcaloides em extratos de espécies de Amaryllidaceae através da técnica de CL-EM suportada por estratégia de rede molecular e avaliação da atividade antiparasitária
    (Universidade Federal do Espírito Santo, 2024-04-17) Feu, Amanda Eiriz; Romão, Wanderson; https://orcid.org/; http://lattes.cnpq.br/; Borges, Warley de Souza; https://orcid.org/; http://lattes.cnpq.br/; https://orcid.org/; http://lattes.cnpq.br/; Endringer, Denise Coutinho ; https://orcid.org/; http://lattes.cnpq.br/; Bauermeister, Anelize ; https://orcid.org/; http://lattes.cnpq.br/; Andrade, Jean Paulo de ; https://orcid.org/; http://lattes.cnpq.br/; Kuster, Ricardo Machado ; http://lattes.cnpq.br/
    This work begins with a scientometric review covering the alkaloids of Amaryllidaceae through three databases. It presented the evolution of research areas since the earliest publications and an analysis of the main authors, institutions, keywords, and trends. Subsequently, a targeted analysis was conducted to identify and annotate alkaloids present in extracts of wild and commercial (hybrid) Amaryllidaceae bulbs. The extraction method employed was exclusively methanol maceration, without using other processes like acid-base extraction. The analysis was carried out using the UHPLC-ESI(+)-LTQ MS technique, with support from molecular networking networks on the Global Natural Products Social Molecular Networking (GNPS) platform. Initially, 19 previously isolated alkaloids were submitted to the GNPS compound library at the bronze level to generate annotations in the molecular network. The extracts were analyzed using the same methodology and sequence as the standards. The classical molecular network analysis had some limitations, leading to the adoption of the feature-based mode as more effective for network analysis. The resulting network had 10 families and 216 unique nodes. Among these families, 7 referred to various Amaryllidaceae alkaloid structures, including homolycorine, haemanthamine, pretazettine, lycorine, and galantamine types. This resulted in the annotation of 28 alkaloids, with an additional 15 alkaloids annotated among the unique nodes. Another aspect addressed was the evaluation of these extracts' activity against the promastigote form of Leishmania amazonensis. Three wild species and eight hybrid species were identified as active, with the raw extract of Ismene amancaes bulbs being the most active (IC50 = 1.29 µg/mL) and selective for the parasite. Molecular network analysis revealed the presence of N-oxide of lycoramine, lycoramine, lycorine, haemanthidine, 11-hydroxyvitattine N-oxide, goleptine, and 9-norpluviine in this species. An exclusive minor alkaloid, with an m/z of 350, was detected, although there is no spectral correspondence in the literature. Additionally, an acid-base extraction of Ismene amancaes bulbs and flowers was performed, resulting in four alkaloid-enriched extracts. GC-MS analysis detected 14 alkaloids, with hippeastrine, isolated from the ethyl acetate fraction, being noteworthy. Evaluation of pharmacokinetic parameters and druglikeness indicated the presence of ten alkaloids with favorable results, with seven of them considered promising compounds. Among these compounds, those with higher concentrations in the enriched extracts were evaluated by molecular docking using the CYP51 cysteine of L. infantum. 8-O-demethylhomolycorine and hippeastrine exhibited the lowest binding energies, suggesting potential for inhibition of Leishmania species. Therefore, the results indicate that Ismene amancaes shows a promising profile in antiparasitic activities, highlighting its efficacy and selectivity against L. amazonensis