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
| Autor: | Yan-Jie Ren, Jin-Long Zhu, Li-Xin Zhang, Yin-Xiang Xu, Shao-Song Qian |
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| Jazyk: | angličtina |
| Rok vydání: | 2017 |
| Předmět: | |
| Zdroj: | Acta Chimica Slovenica, Vol 64, Iss 4, Pp 825-831 (2017) |
| Druh dokumentu: | article |
| ISSN: | 1318-0207 1580-3155 |
| DOI: | 10.17344/acsi.2017.3315 |
| Popis: | 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. |
| Databáze: | Directory of Open Access Journals |
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