Synthesis, crystal structures, molecular docking and MAO-B inhibitory activity of transition metal complexes derived from 2-(4-(pyridin-2-yl)piperazin-1-yl)acetic acid

Yan-Jie Ren, Jin-Long Zhu, Li-Xin Zhang, Yin-Xiang Xu, Shao-Song Qian

Abstract


Three new complexes derived from 2-(4-(pyridin-2-yl)piperazin-1-yl)acetic acid (HL), [M(L)2(H2O)2] where M = CuII (1), ZnII (2) and CdII (3), have been synthesized and characterized by IR spectroscopy, elemental analysis and X-ray crystallography. The inhibitory activity of these three complexes against MAO-B was tested in vitro, and the molecular docking experiments were also carried out to rationalize their binding models. Both the experimental and docking simulation results indicated that complex 1 has the best inhibitory activity with IC50 value being 6.5 ± 0.31 μM. 


Keywords


Metal complexes; Crystal Structure; MAO-B inhibitor; Molecular Docking

Full Text:

PDF


DOI: http://dx.doi.org/10.17344/acsi.2017.3315

Refbacks

  • There are currently no refbacks.