Synthesis, crystal structures, molecular docking, and urease inhibitory activity of transition metal complexes with 2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid

Authors

  • Zhi-Jian Chen School of Life Sciences, Shandong University of Technology
  • Chun-Na Xu School of Life Sciences, Shandong University of Technology
  • Jin-Long Zhu School of Life Sciences, Shandong University of Technology
  • Dan-Dan Yang School of Life Sciences, Shandong University of Technology
  • Shan-Shan Zhao School of Life Sciences, Shandong University of Technology
  • Ya-Nan Chen School of Life Sciences, Shandong University of Technology
  • Shao-Song Qian School of Life Sciences, Shandong University of Technology

DOI:

https://doi.org/10.17344/acsi.2015.2109

Keywords:

Complexes, Crystal structure, Urease inhibitor, Molecular docking

Abstract

Two novel mononuclear complexes, [Cu(L)2(H2O)]·2H2O (1) and [Ni(L)2(H2O)2] (2) (HL = 2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid) were synthesized and structurally determined by single-crystal X-ray diffraction. Their inhibitory activities were tested in vitro against jack bean urease. Molecular docking was investigated to determine the probable binding mode. The experimental values and docking simulation exhibited that complex 1 had better inhibitory activity than the positive reference aceto hydroxamic acid (AHA), showing IC50 value of 0.15±0.08 µM, while 2 showed no inhibitory activity.

Downloads

Additional Files

Published

20.01.2016

Issue

Vol. 63 No. 1 (2016)

Section

Inorganic chemistry

License

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