Synthesis and characterization of the copper(II) complex of a new β-aminoalcoholic ligand in the presence of the ۴,۴-bipyridine supported by moleculardocking

In this work, ۲-(۲-(۲-hydroxyethylamino)ethylamino)cyclohexanol, L۱, was prepared insolvent by the ring opening of Epoxycyclohexane with ۲-(۲-amino-ethylamino)ethanol [۱].Reaction of CuBr۲ with L۱ in methanol in the presence of ۴,۴-bipyridine (L۲) led to the [CuL۱L۲Br۲]. we elucidated the structure of Cu(II) complex prepared and identified by elemental analysisand FT-IR spectroscopy. The L۱ unit is a potentially tetradentate ligand that can be bind to metalatoms through two N- and one O-atoms, but here, it is coordinated to the central metal through oneN- atom. As it is shown in (Figure ۱), the coordination number of the Cu(II) ion in the compoundis ۴ and according to the τ value (τ =۱.۰), the geometry of the compound is ideal square-planer.For the accurate evaluation of the located site of the synthesized complex on biomacromolecules,the docking analysis of the interaction was performed [۲]. Docking calculation (Figure ۲) showedthat the complex has higher fitness scores with CatB, rHA and RNR proteins compared todoxorubicin (anticancer drug), thus we suggest that studying the anticancer activities of thiscompound could be interesting.

کلیدواژه ها:

β -Amino alcohol ، ۴ ، ۴-bipyridine ، Coordination Chemistry ، Molecular docking