Synthesis and characterization of a manganese(II) complex containing N(sp2)4-donor Schiff base ligand and interaction toward biomacromolecules.

In this work, an N4-donor Schiff base ligand, N,N'-(propane-1,2-diyl)bis(1-phenyl-1-(pyridin-2-yl)methanimine) (PPPM) and its Mn(II) complex, [Mn(PPPM)(OAc)2]·3H2O (1), were prepared and identified by elemental analysis, FT-IR, 1H NMR spectroscopy as well single-crystal X-ray diffraction. X-ray structure analysis of 1 revealed a distorted square-face bicapped trigonal prism geometry around manganese atom with MnN4O4 environment containing an N4-donor PPPM and two O2-donor acetato ligands. The ligand has a chiral center on carbon atom which leads to the formation of a racemic mixture of complex 1. In the crystal structure of complex, intermolecular hydrogen bonds form R44(8) hydrogen bond motifs. The ability of two optical isomers of PPPM ligand and manganese complex to interact with 10 selected biomacromolecules (BRAF kinase, CatB, DNA gyrase, HDAC7, rHA, RNR, TrxR, TS, Top II, B-DNA) was investigated by docking studies. These studies revealed that PPPMR,S and 1R,S isomers can bind to these molecules better than doxorubicin (except B-DNA). [ABSTRACT FROM AUTHOR]