Molecular Docking Studies of the Antitumoral Activity and Characterization of New Chalcone

Donoso, Viviana; Bacho, Mitchell; Rovirosa, Juana; Bailon-Moscoso, Natalia; Cuenca Camacho, Sandra; Malagon Aviles, Omar; Cazar, Maria-Elena

Abstract

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.

Más información

Título según WOS: Molecular Docking Studies of the Antitumoral Activity and Characterization of New Chalcone
Título de la Revista: CURRENT TOPICS IN MEDICINAL CHEMISTRY
Volumen: 15
Número: 17
Editorial: BENTHAM SCIENCE PUBL LTD
Fecha de publicación: 2015
Página de inicio: 1743
Página final: 1749
DOI:

10.2174/1568026615666150427125033

Notas: ISI