Synthesis, crystal structures, molecular docking, and urease inhibitory activity of transition metal complexes with 2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid
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...
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| Format: | Article |
| Language: | English |
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Slovenian Chemical Society
2016-01-01
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| Series: | Acta Chimica Slovenica |
| Subjects: | |
| Online Access: | https://journals.matheo.si/index.php/ACSi/article/view/2109 |
| _version_ | 1818059867809644544 |
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| author | Zhi-Jian Chen Chun-Na Xu Jin-Long Zhu Dan-Dan Yang Shan-Shan Zhao Ya-Nan Chen Shao-Song Qian |
| author_facet | Zhi-Jian Chen Chun-Na Xu Jin-Long Zhu Dan-Dan Yang Shan-Shan Zhao Ya-Nan Chen Shao-Song Qian |
| author_sort | Zhi-Jian Chen |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-12-10T13:23:21Z |
| format | Article |
| id | doaj.art-7fd8cd48dd7843f7980914f4ee5ff464 |
| institution | Directory Open Access Journal |
| issn | 1318-0207 1580-3155 |
| language | English |
| last_indexed | 2024-12-10T13:23:21Z |
| publishDate | 2016-01-01 |
| publisher | Slovenian Chemical Society |
| record_format | Article |
| series | Acta Chimica Slovenica |
| spelling | doaj.art-7fd8cd48dd7843f7980914f4ee5ff4642022-12-22T01:47:16ZengSlovenian Chemical SocietyActa Chimica Slovenica1318-02071580-31552016-01-0163116517210.17344/acsi.2015.2109317Synthesis, crystal structures, molecular docking, and urease inhibitory activity of transition metal complexes with 2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acidZhi-Jian Chen0Chun-Na Xu1Jin-Long Zhu2Dan-Dan Yang3Shan-Shan Zhao4Ya-Nan Chen5Shao-Song Qian6School of Life Sciences, Shandong University of TechnologySchool of Life Sciences, Shandong University of TechnologySchool of Life Sciences, Shandong University of TechnologySchool of Life Sciences, Shandong University of TechnologySchool of Life Sciences, Shandong University of TechnologySchool of Life Sciences, Shandong University of TechnologySchool of Life Sciences, Shandong University of TechnologyTwo 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.https://journals.matheo.si/index.php/ACSi/article/view/2109ComplexesCrystal structureUrease inhibitorMolecular docking |
| spellingShingle | Zhi-Jian Chen Chun-Na Xu Jin-Long Zhu Dan-Dan Yang Shan-Shan Zhao Ya-Nan Chen Shao-Song Qian Synthesis, crystal structures, molecular docking, and urease inhibitory activity of transition metal complexes with 2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid Acta Chimica Slovenica Complexes Crystal structure Urease inhibitor Molecular docking |
| title | Synthesis, crystal structures, molecular docking, and urease inhibitory activity of transition metal complexes with 2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid |
| title_full | Synthesis, crystal structures, molecular docking, and urease inhibitory activity of transition metal complexes with 2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid |
| title_fullStr | Synthesis, crystal structures, molecular docking, and urease inhibitory activity of transition metal complexes with 2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid |
| title_full_unstemmed | Synthesis, crystal structures, molecular docking, and urease inhibitory activity of transition metal complexes with 2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid |
| title_short | Synthesis, crystal structures, molecular docking, and urease inhibitory activity of transition metal complexes with 2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid |
| title_sort | synthesis crystal structures molecular docking and urease inhibitory activity of transition metal complexes with 2 4 4 fluorophenyl piperazin 1 yl acetic acid |
| topic | Complexes Crystal structure Urease inhibitor Molecular docking |
| url | https://journals.matheo.si/index.php/ACSi/article/view/2109 |
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