%0 Journal Article %1 RN234 %A San-Martin, A. %A Donoso, V. %A Leiva, S. %A Bacho, M. %A Nunez, S. %A Gutierrez, M. %A Rovirosa, J. %A Bailon-Moscoso, N. %A Camacho, S.C. %A Aviles, O.M. %A Cazar, M.E. %D 2015 %J Current Topics in Medicinal Chemistry %K agents, antibacterial, antimicrobial antitumoral, azorella azorella-madreporica, biological chalcone, compacta diterpenes, diterpenoids, docking, dqcauchile evaluation, flavonoids, madreporica, mulinane, potential yareta, %N 17 %P 1743-1749 %R 10.2174/1568026615666150427125033 %T Molecular Docking Studies of the Antitumoral Activity and Characterization of New Chalcone %U /brokenurl#<Go to ISI>://WOS:000355570800010 %V 15 %X 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.

@article{RN234, 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.}, added-at = {2019-12-04T03:57:35.000+0100}, author = {San-Martin, A. and Donoso, V. and Leiva, S. and Bacho, M. and Nunez, S. and Gutierrez, M. and Rovirosa, J. and Bailon-Moscoso, N. and Camacho, S.C. and Aviles, O.M. and Cazar, M.E.}, biburl = {https://www.bibsonomy.org/bibtex/23950461e0613cc07ca1a848713703a56/dqcauchile}, doi = {10.2174/1568026615666150427125033}, interhash = {010e797104cfeb7f4faeb6422a2edcc5}, intrahash = {3950461e0613cc07ca1a848713703a56}, issn = {1568-0266}, journal = {Current Topics in Medicinal Chemistry}, keywords = {agents, antibacterial, antimicrobial antitumoral, azorella azorella-madreporica, biological chalcone, compacta diterpenes, diterpenoids, docking, dqcauchile evaluation, flavonoids, madreporica, mulinane, potential yareta,}, number = 17, pages = {1743-1749}, timestamp = {2019-12-04T03:58:17.000+0100}, title = {Molecular Docking Studies of the Antitumoral Activity and Characterization of New Chalcone}, type = {Journal Article}, url = {/brokenurl#<Go to ISI>://WOS:000355570800010}, volume = 15, year = 2015 }