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Título : Molecular docking studies of the antitumoral activity and characterization of new chalcone
Autor : Malagon Aviles, O.
Bailon Moscoso, N.
Palabras clave : Antitumoral
Azorella madreporica
Chalcone
Diterpenes
Docking
Yareta
metadata.dc.date.available: 2017-06-16T22:02:46Z
Fecha de publicación : 1-ene-2015
Editorial : Current Topics in Medicinal Chemistry
Resumen : Phytochemical investigation of Azorella madreporica led to the isolation of four known compounds and an unknown chalcone. The structure of the new compound was identified by spectroscopy, including two-dimensional NMR techniques and comparison with published spectral data. The antioxidant activity of chalcone (compound 1) was measured using the 1,2-diphenyl-2-picryl-hydrazyl (DPPH) free radical scavenging assay, and the bioactivity was evaluated against five bacteria (Mycobacterium smegmatis ATCC 14468, clinical isolates of Staphylococcus aureus, Klebsiella granulomatis, Morganella morganii and Escherichia coli) and four cancer cell lines. Docking studies with the tested cancer related proteins revealed nearby values of energy between doxorubicin and compound 1. Besides, protein-ligand interactions correlate with these energy values. © 2015, Bentham Science Publishers.
metadata.dc.identifier.other: doi
URI : http://dspace.utpl.edu.ec/handle/123456789/19006
ISBN : 15680266
Otros identificadores : doi
Otros identificadores : doi
metadata.dc.language: Inglés
metadata.dc.type: Article
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