Four diterpenes identified in silico were isolated from Hyptidinae and demonstrated in vitro activity against Mycobacterium tuberculosis.

Autor: Cavalcanti, Andreza Barbosa Silva, Maia, Mayara dos Santos, Figueiredo, Pedro Thiago Ramalho de, Menezes, Renata Priscila Barros de, Monteiro, Alex France Messias, Meireles, Roseana Araújo Ramos, Rodrigues, Gabriela Cristina Soares, Rodrigues de Almeida Silva, Ana Rita, Lins, Jociano da Silva, Cordeiro, Laísa Vilar, Junior, Valnês S. Rodrigues, Castelo Branco, Ana Paula O. T., Agra, Maria de Fátima, Sessions, Zoe L., Muratov, Eugene N., Scotti, Luciana, Silva, Marcelo Sobral da, Costa, Vicente Carlos de Oliveira, Tavares, Josean Fechine, Scotti, Marcus Tullius
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Zdroj: Natural Product Research; Mar2023, Vol. 37 Issue 6, p903-911, 9p
Abstrakt: Plants of Hyptidinae subtribe (Lamiaceae – family), as Mesosphaerum sidifolium, are a source of bioactive molecules. In the search for new drug candidates, we perform chemical characterization of diterpenes isolated from the aerial parts of M. sidifolium was carried out with uni- and bidimensional NMR spectral data, and evaluate in silico through the construction of a predictive model followed by in vitro testing Mycobacterium tuberculosis and Mycobacterium smegmatis. Resulted in the isolation of four components: Pomiferin D (1), Salviol (2), Pomiferin E (3) and 2α-hydroxysugiol (4), as well as two phenolic compounds, rosmarinic and caffeic acids. In silico model identified 48 diterpenes likely to have biological activity against M. tuberculosis. The diterpenes isolated were tested in vitro against M. tuberculosis demonstrating MIC = 125 µM for 4 and 1, while 2 and 3 -MIC = 250 µM. These compounds did not show biological activity at these concentrations for M. smegmatis. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index