Antitumor and Antibacterial Activity of Ni(II), Cu(II), Ag(I), and Hg(II) Complexes with Ligand Derived from Thiosemicarbazones: Characterization and Theoretical Studies
Four new complexes (Ni<sup>2+</sup>, Cu<sup>2+</sup>, Ag<sup>+</sup>, and Hg<sup>2+</sup>) were prepared from the ligand N-(4-chlorophenyl)-2-(phenylglycyl)hydrazine-1-carbothioamide (H<sub>2</sub>L). Analytical and spectroscopic techniques...
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| Format: | Article |
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MDPI AG
2023-03-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/28/6/2590 |
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| author | Heba Alshater Ahlam I. Al-Sulami Samar A. Aly Ehab M. Abdalla Mohamed A. Sakr Safaa S. Hassan |
| author_facet | Heba Alshater Ahlam I. Al-Sulami Samar A. Aly Ehab M. Abdalla Mohamed A. Sakr Safaa S. Hassan |
| author_sort | Heba Alshater |
| collection | DOAJ |
| description | Four new complexes (Ni<sup>2+</sup>, Cu<sup>2+</sup>, Ag<sup>+</sup>, and Hg<sup>2+</sup>) were prepared from the ligand N-(4-chlorophenyl)-2-(phenylglycyl)hydrazine-1-carbothioamide (H<sub>2</sub>L). Analytical and spectroscopic techniques were used to clarify the structural composition of the new chelates. In addition, all chelates were tested against bacterial strains and the HepG2 cell line to determine their antiseptic and carcinogenic properties. The Ni(II) complex was preferable to the other chelates. Molecular optimization revealed that H<sub>2</sub>L had the highest reactivity, followed by Hg-chelate, Ag-chelate, Ni-chelate, and Cu-chelate. Moreover, molecular docking was investigated against two different proteins: the ribosyltransferase enzyme (code: 3GEY) and the EGFR tyrosine kinase receptor (code: 1m17). |
| first_indexed | 2024-03-11T06:07:48Z |
| format | Article |
| id | doaj.art-d6a09a404aff4e488a6d8759120e4f06 |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-11T06:07:48Z |
| publishDate | 2023-03-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-d6a09a404aff4e488a6d8759120e4f062023-11-17T12:52:26ZengMDPI AGMolecules1420-30492023-03-01286259010.3390/molecules28062590Antitumor and Antibacterial Activity of Ni(II), Cu(II), Ag(I), and Hg(II) Complexes with Ligand Derived from Thiosemicarbazones: Characterization and Theoretical StudiesHeba Alshater0Ahlam I. Al-Sulami1Samar A. Aly2Ehab M. Abdalla3Mohamed A. Sakr4Safaa S. Hassan5Department of Forensic Medicine and Clinical Toxicology University Hospital, Menoufia University, Shebin El-Kom 32511, EgyptDepartment of Chemistry, College of Science, University of Jeddah, Jeddah 21589, Saudi ArabiaDepartment of Environmental Biotechnology, Genetic Engineering and Biotechnology Research Institute, University of Sadat City, Sadat City 32958, EgyptChemistry Department, Faculty of Science, New Valley University, Alkharga 72511, EgyptMedical Microbiology and Immunology Department, Faculty of Medicine, Suez University, Suez 41522, EgyptDepartment of Chemistry, Faculty of Science, Cairo University, Giza 12613, EgyptFour new complexes (Ni<sup>2+</sup>, Cu<sup>2+</sup>, Ag<sup>+</sup>, and Hg<sup>2+</sup>) were prepared from the ligand N-(4-chlorophenyl)-2-(phenylglycyl)hydrazine-1-carbothioamide (H<sub>2</sub>L). Analytical and spectroscopic techniques were used to clarify the structural composition of the new chelates. In addition, all chelates were tested against bacterial strains and the HepG2 cell line to determine their antiseptic and carcinogenic properties. The Ni(II) complex was preferable to the other chelates. Molecular optimization revealed that H<sub>2</sub>L had the highest reactivity, followed by Hg-chelate, Ag-chelate, Ni-chelate, and Cu-chelate. Moreover, molecular docking was investigated against two different proteins: the ribosyltransferase enzyme (code: 3GEY) and the EGFR tyrosine kinase receptor (code: 1m17).https://www.mdpi.com/1420-3049/28/6/2590complexesDFTantitumorantibacterialmolecular docking |
| spellingShingle | Heba Alshater Ahlam I. Al-Sulami Samar A. Aly Ehab M. Abdalla Mohamed A. Sakr Safaa S. Hassan Antitumor and Antibacterial Activity of Ni(II), Cu(II), Ag(I), and Hg(II) Complexes with Ligand Derived from Thiosemicarbazones: Characterization and Theoretical Studies Molecules complexes DFT antitumor antibacterial molecular docking |
| title | Antitumor and Antibacterial Activity of Ni(II), Cu(II), Ag(I), and Hg(II) Complexes with Ligand Derived from Thiosemicarbazones: Characterization and Theoretical Studies |
| title_full | Antitumor and Antibacterial Activity of Ni(II), Cu(II), Ag(I), and Hg(II) Complexes with Ligand Derived from Thiosemicarbazones: Characterization and Theoretical Studies |
| title_fullStr | Antitumor and Antibacterial Activity of Ni(II), Cu(II), Ag(I), and Hg(II) Complexes with Ligand Derived from Thiosemicarbazones: Characterization and Theoretical Studies |
| title_full_unstemmed | Antitumor and Antibacterial Activity of Ni(II), Cu(II), Ag(I), and Hg(II) Complexes with Ligand Derived from Thiosemicarbazones: Characterization and Theoretical Studies |
| title_short | Antitumor and Antibacterial Activity of Ni(II), Cu(II), Ag(I), and Hg(II) Complexes with Ligand Derived from Thiosemicarbazones: Characterization and Theoretical Studies |
| title_sort | antitumor and antibacterial activity of ni ii cu ii ag i and hg ii complexes with ligand derived from thiosemicarbazones characterization and theoretical studies |
| topic | complexes DFT antitumor antibacterial molecular docking |
| url | https://www.mdpi.com/1420-3049/28/6/2590 |
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