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

Authors

  • Yan-Jie Ren School of Life Sciences, Shandong University of Technology, Zibo 255049, P. R. China
  • Jin-Long Zhu School of Life Sciences, Shandong University of Technology, Zibo 255049, P. R. China
  • Li-Xin Zhang School of Life Sciences, Shandong University of Technology, Zibo 255049, P. R. China
  • Yin-Xiang Xu School of Life Sciences, Shandong University of Technology, Zibo 255049, P. R. China
  • Shao-Song Qian School of Life Sciences, Shandong University of Technology, Zibo 255049, P. R. China

DOI:

https://doi.org/10.17344/acsi.2017.3315

Keywords:

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

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. 

Downloads

Additional Files

Published

12.12.2017

Issue

Vol. 64 No. 4 (2017): Acsi

Section

Inorganic chemistry

License

Except where otherwise noted, articles in this journal are published under the Creative Commons Attribution 4.0 International License