Molecular docking studies of the interaction between propargylic enol ethers and human DNA topoisomerase IIα

Silveira-Dorta, Gastón; Sousa, Inês J.; Ríos-Luci, Carla; Martín, Víctor S.; Fernandes, Miguel X.; Padrón, José M.

http://hdl.handle.net/10400.13/5025

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Authors

Silveira-Dorta, Gastón

Abstract(s)

Having identified a novel human DNA topoisomerase IIa (TOP2) catalytic inhibitor from a small and structure-focused library of propargylic enol ethers, we decided to analyze if the chirality of these compounds plays a determinant role in their antiproliferative activity. In this study, we describe for the first time the synthesis of the corresponding enantiomers and the biological evaluation against a panel of representative human solid tumor cell lines. Experimental results show that chirality does not influence the reported antiproliferative activity of these compounds. Docking studies of corresponding enantiomers against TOP2 reinforce the finding that the biological effect is not chiral-dependent and that these family of compounds seem to act as TOP2 catalytic inhibitors.

Keywords

Antitumor agents Chirality Docking studies Enzyme inhibitors Topoisomerase IIa . Faculdade de Ciências Exatas e da Engenharia

URI

http://hdl.handle.net/10400.13/5025

Citation

Silveira-Dorta, G., Sousa, I. J., Ríos-Luci, C., Martin, V. S., Fernandes, M. X., & Padron, J. M. (2013). Molecular docking studies of the interaction between propargylic enol ethers and human DNA topoisomerase IIα. Bioorganic & medicinal chemistry letters, 23(19), 5382-5384.