Artigos Científicos - ICEN
URI Permanente para esta coleçãohttps://repositorio.ufpa.br/handle/2011/2557
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Navegando Artigos Científicos - ICEN por Autor "BRASIL, Davi do Socorro Barros"
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Item Acesso aberto (Open Access) Essential oil composition of Croton palanostigma Klotzsch from north Brazil(2009) BRASIL, Davi do Socorro Barros; MÜLLER, Adolfo Henrique; GUILHON, Giselle Maria Skelding Pinheiro; ALVES, Claudio Nahum; ANDRADE, Eloisa Helena de Aguiar; SILVA, Joyce Kelly do Rosário da; MAIA, José Guilherme SoaresThe essential oils of leaves, twigs, branches, trunk bark and fruits of Croton palanostigma were analyzed by GC and GC-MS. The main compounds found in the oil of the leaves were linalool (25.4%), (E)-caryophyllene (21.0%), methyleugenol (17.2%) and β-elemene (6.0%); in the oil of the twigs were α-pinene (41.4%), limonene (29.0%), sabinene (11.5%) and β-pinene (5.7%); in the oil of the branches were methyleugenol (24.1%), (E)-methylisoeugenol (15.3%), α-pinene (11.2%) and (E)-caryophyllene (8.5%); in the oil of the trunk bark were a-pinene (31.6%), methyleugenol (25.6%) and (E)-methylisoeugenol (23.7%); and in the oil of the fruits were linalool (42.7%), methyleugenol (16.3%) and β-elemene (6.4%). Statistical analysis showed that the leaves and fruit, and the branches and trunk bark, have significant similarities between them. In addition, the trunk bark oil has high brine shrimp larvicidal activity (LC50, 3.71 ± 0.01 mg mL-1).Item Acesso aberto (Open Access) Isolation, X-ray crystal structure and theoretical calculations of the new compound 8-Eepicordatin and identification of others terpenes and steroids from the bark and leaves of Croton palanostigma Klotzsch(2010) BRASIL, Davi do Socorro Barros; MÜLLER, Adolfo Henrique; GUILHON, Giselle Maria Skelding Pinheiro; ALVES, Claudio Nahum; PERIS, Gabriel; LLUSAR, Rosa; MOLINER, VicentPhytochemical studies of the bark and leaves of Croton palanostigma Klotzsch (Euphorbiaceae) led to the isolation of a new clerodane diterpene, 8-epicordatin (2), in addition to 12-oxohardwickiic acid methyl ester (3), aparisthman, cordatin (1), ent-trachyloban-18-oic acid, ent-13-epimanoyl oxide, ent-3-oxo-13-epimanoyl oxide, ent-3β-hydroxy-13-epimanoyl oxide, sitosterol, stigmasterol, stigmastan-3-one, 6β-hydroxystigmast-4-en-3-one, 6β-hydroxystigmasta-4,22-dien-3-one, stigmast-4-en-3-one, stigmasta-4,22-dien-3-one, 3-O-acetylaleuritolic acid, 11α-hydroxyurs-12-en-3-one, α-amyrenone, 24-methylenecycloartenone and lupenone. These compounds were isolated using typical phytochemical procedures and the structures were deduced from spectroscopic studies, including 2D NMR experiments. In addition, the crystalline structure of 8-epicordatin (2) was determined by X-ray diffraction. NMR theoretical calculations at the B3PW91/DGDZVP level were used to confirm the assignment of the chemical shifts of the H-7α and H-7β hydrogens of 8-epicordatin.Item Acesso aberto (Open Access) Synthesis, X-ray crystal structure and theoretical calculations of antileishmanial neolignan analogues(2010) NASCIMENTO, Josenaide Pereira do; SANTOS, Lourivaldo da Silva; SANTOS, Regina Helena de Almeida; TOZZO, Érica; FERREIRA, Janaina Gomes; CARMO, Maria Carolina Lima do; BRASIL, Davi do Socorro Barros; ALVES, Claudio NahumThe synthesis and X-ray crystal diffraction structure of two analogues of neolignans, 2-(4-chlorophenyl)-1-phenylethanone (20) and 2-[(4-chlorophenyl)thio]-1-(3,4-dimethoxyphenyl)propan-1-one (12) is described. The compound 12 presents activity against intracellular Leishmania donovani and Leishmania amazonensis amastigotes that cause cutaneous and visceral leishmaniasis. In addition, the density functional theory (DFT) with the B3LYP hybrid functional was employed to calculate a set of molecular descriptors for nineteen synthetic analogues of neolignans with antileishmanial activities. Afterwards, the stepwise discriminant analysis was performed to investigate possible relationship between the molecular descriptors and biological activities. Through this analysis the compounds were classified into two groups active and inactive according to their degree of biological activities, and the more important properties were charges on some key atoms, electronic affinity and ClogP.