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
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 aga...
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Slovenian Chemical Society
2017-12-01
|
| Series: | Acta Chimica Slovenica |
| Subjects: | |
| Online Access: | https://journals.matheo.si/index.php/ACSi/article/view/3315 |
| _version_ | 1817988445527605248 |
|---|---|
| author | Yan-Jie Ren Jin-Long Zhu Li-Xin Zhang Yin-Xiang Xu Shao-Song Qian |
| author_facet | Yan-Jie Ren Jin-Long Zhu Li-Xin Zhang Yin-Xiang Xu Shao-Song Qian |
| author_sort | Yan-Jie Ren |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-04-14T00:35:10Z |
| format | Article |
| id | doaj.art-9dcc8a9208c4441ba9e63cae73eec014 |
| institution | Directory Open Access Journal |
| issn | 1318-0207 1580-3155 |
| language | English |
| last_indexed | 2024-04-14T00:35:10Z |
| publishDate | 2017-12-01 |
| publisher | Slovenian Chemical Society |
| record_format | Article |
| series | Acta Chimica Slovenica |
| spelling | doaj.art-9dcc8a9208c4441ba9e63cae73eec0142022-12-22T02:22:25ZengSlovenian Chemical SocietyActa Chimica Slovenica1318-02071580-31552017-12-0164482583110.17344/acsi.2017.3315514Synthesis, crystal structures, molecular docking and MAO-B inhibitory activity of transition metal complexes derived from 2-(4-(pyridin-2-yl)piperazin-1-yl)acetic acidYan-Jie Ren0Jin-Long Zhu1Li-Xin Zhang2Yin-Xiang Xu3Shao-Song Qian4School of Life Sciences, Shandong University of Technology, Zibo 255049, P. R. ChinaSchool of Life Sciences, Shandong University of Technology, Zibo 255049, P. R. ChinaSchool of Life Sciences, Shandong University of Technology, Zibo 255049, P. R. ChinaSchool of Life Sciences, Shandong University of Technology, Zibo 255049, P. R. ChinaSchool of Life Sciences, Shandong University of Technology, Zibo 255049, P. R. ChinaThree 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.https://journals.matheo.si/index.php/ACSi/article/view/3315Metal complexesCrystal StructureMAO-B inhibitorMolecular Docking |
| spellingShingle | Yan-Jie Ren Jin-Long Zhu Li-Xin Zhang Yin-Xiang Xu Shao-Song Qian 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 Acta Chimica Slovenica Metal complexes Crystal Structure MAO-B inhibitor Molecular Docking |
| title | 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 |
| title_full | 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 |
| title_fullStr | 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 |
| title_full_unstemmed | 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 |
| title_short | 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 |
| title_sort | 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 |
| topic | Metal complexes Crystal Structure MAO-B inhibitor Molecular Docking |
| url | https://journals.matheo.si/index.php/ACSi/article/view/3315 |
| work_keys_str_mv | AT yanjieren synthesiscrystalstructuresmoleculardockingandmaobinhibitoryactivityoftransitionmetalcomplexesderivedfrom24pyridin2ylpiperazin1ylaceticacid AT jinlongzhu synthesiscrystalstructuresmoleculardockingandmaobinhibitoryactivityoftransitionmetalcomplexesderivedfrom24pyridin2ylpiperazin1ylaceticacid AT lixinzhang synthesiscrystalstructuresmoleculardockingandmaobinhibitoryactivityoftransitionmetalcomplexesderivedfrom24pyridin2ylpiperazin1ylaceticacid AT yinxiangxu synthesiscrystalstructuresmoleculardockingandmaobinhibitoryactivityoftransitionmetalcomplexesderivedfrom24pyridin2ylpiperazin1ylaceticacid AT shaosongqian synthesiscrystalstructuresmoleculardockingandmaobinhibitoryactivityoftransitionmetalcomplexesderivedfrom24pyridin2ylpiperazin1ylaceticacid |