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

Author(s): Aurelio San-Martin, Viviana Donoso, Sergio Leiva, Mitchell Bacho, Solange Nunez, Margarita Gutierrez, Juana Rovirosa, Natalia Bailon-Moscoso, Sandra Cuenca Camacho, Omar Malagon Aviles, Maria-Elena Cazar.

Journal Name: Current Topics in Medicinal Chemistry

Volume 15 , Issue 17 , 2015

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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.

Keywords: Antitumoral, Azorella madreporica, Chalcone, Diterpenes, Docking, Yareta.

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Article Details

VOLUME: 15
ISSUE: 17
Year: 2015
Page: [1743 - 1749]
Pages: 7
DOI: 10.2174/1568026615666150427125033
Price: $58

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