Structural design and molecular modeling of Copper (II) complexes as inhibitors of human Topoisomerase IIα.

The development of new antitumoral compounds including essential metals inside the inorganics complex structure, which present a high degree of selectivity, that do not bind covalently to the DNA and present less toxicity to the normal cells, are this study. The copper was selected, because it is present in the body, is biocompatible, which makes it potentially less toxic to healthy cells. Copper (II) complexes reported in literature with thiosemicarbazones and isatins are investigated for medicinal applications, including their use as antitumoral agents. In addition, their mechanism of action is given by the inhibition of human topoisomerase IIα. The isatins are recognized as a privileged structure, potent and selective way through the modification of functional groups. Thus, 180 copper complexes were designed and the in silico molecular study are in progress to select the most promising for syntesis and pharmacological evaluation. Docking studies were carried out.