Synthesis, Characterization, Thermal Analysis, DFT, and Cytotoxicity of Palladium Complexes with Nitrogen-Donor Ligands
Three new palladium complexes ([Pd(DABA)Cl<sub>2</sub>], [Pd(CPDA)Cl<sub>2</sub>], and [Pd(HZPY)Cl<sub>2</sub>]) bearing dinitrogen ligands (DABA: 3,4-diaminobenzoic acid; CPDA: 4-chloro–o-phenylenediamine; HZPY: 2-hydraziniopyridine) were synthesized, characteriz...
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| Format: | Article |
| Language: | English |
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MDPI AG
2022-01-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/27/3/964 |
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| author | Sattar R. Majeed Mina A. Amin Fawzy A. Attaby Marta E. Alberto Ahmed A. Soliman |
| author_facet | Sattar R. Majeed Mina A. Amin Fawzy A. Attaby Marta E. Alberto Ahmed A. Soliman |
| author_sort | Sattar R. Majeed |
| collection | DOAJ |
| description | Three new palladium complexes ([Pd(DABA)Cl<sub>2</sub>], [Pd(CPDA)Cl<sub>2</sub>], and [Pd(HZPY)Cl<sub>2</sub>]) bearing dinitrogen ligands (DABA: 3,4-diaminobenzoic acid; CPDA: 4-chloro–o-phenylenediamine; HZPY: 2-hydraziniopyridine) were synthesized, characterized, and tested against breast cancer (MCF-7), prostate carcinoma cell line (PC3) and liver carcinoma cell line (HEPG2). [Pd(DABA)Cl<sub>2</sub>] complex exhibited the highest inhibition percentage, lying between 68–71%. The hydrolysis mechanism of each palladium complex, the key step preceding the binding to the biological target, as well as their photophysical properties were explored by means of DFT and TDDFT computations. Results indicate a faster hydrolysis process for the Pd(DABA)Cl<sub>2</sub> complex. The computed activation energies for the first and second hydrolysis processes suggest that all the compounds could reach DNA in their monohydrated form. |
| first_indexed | 2024-03-09T23:27:02Z |
| format | Article |
| id | doaj.art-20e556e239d24583a8dacdc80fbcf5a3 |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-09T23:27:02Z |
| publishDate | 2022-01-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-20e556e239d24583a8dacdc80fbcf5a32023-11-23T17:15:21ZengMDPI AGMolecules1420-30492022-01-0127396410.3390/molecules27030964Synthesis, Characterization, Thermal Analysis, DFT, and Cytotoxicity of Palladium Complexes with Nitrogen-Donor LigandsSattar R. Majeed0Mina A. Amin1Fawzy A. Attaby2Marta E. Alberto3Ahmed A. Soliman4Department of Chemistry, Faculty of Science, Cairo University, Giza 12613, EgyptDepartment of Chemistry, Faculty of Science, Cairo University, Giza 12613, EgyptDepartment of Chemistry, Faculty of Science, Cairo University, Giza 12613, EgyptDepartment of Chemistry and Chemical Technologies, University of Calabria, 87036 Arcavacata di Rende, CS, ItalyDepartment of Chemistry, Faculty of Science, Cairo University, Giza 12613, EgyptThree new palladium complexes ([Pd(DABA)Cl<sub>2</sub>], [Pd(CPDA)Cl<sub>2</sub>], and [Pd(HZPY)Cl<sub>2</sub>]) bearing dinitrogen ligands (DABA: 3,4-diaminobenzoic acid; CPDA: 4-chloro–o-phenylenediamine; HZPY: 2-hydraziniopyridine) were synthesized, characterized, and tested against breast cancer (MCF-7), prostate carcinoma cell line (PC3) and liver carcinoma cell line (HEPG2). [Pd(DABA)Cl<sub>2</sub>] complex exhibited the highest inhibition percentage, lying between 68–71%. The hydrolysis mechanism of each palladium complex, the key step preceding the binding to the biological target, as well as their photophysical properties were explored by means of DFT and TDDFT computations. Results indicate a faster hydrolysis process for the Pd(DABA)Cl<sub>2</sub> complex. The computed activation energies for the first and second hydrolysis processes suggest that all the compounds could reach DNA in their monohydrated form.https://www.mdpi.com/1420-3049/27/3/964palladium complexdinitrogen ligandscytotoxicityhydrolysisDFTTDDFT |
| spellingShingle | Sattar R. Majeed Mina A. Amin Fawzy A. Attaby Marta E. Alberto Ahmed A. Soliman Synthesis, Characterization, Thermal Analysis, DFT, and Cytotoxicity of Palladium Complexes with Nitrogen-Donor Ligands Molecules palladium complex dinitrogen ligands cytotoxicity hydrolysis DFT TDDFT |
| title | Synthesis, Characterization, Thermal Analysis, DFT, and Cytotoxicity of Palladium Complexes with Nitrogen-Donor Ligands |
| title_full | Synthesis, Characterization, Thermal Analysis, DFT, and Cytotoxicity of Palladium Complexes with Nitrogen-Donor Ligands |
| title_fullStr | Synthesis, Characterization, Thermal Analysis, DFT, and Cytotoxicity of Palladium Complexes with Nitrogen-Donor Ligands |
| title_full_unstemmed | Synthesis, Characterization, Thermal Analysis, DFT, and Cytotoxicity of Palladium Complexes with Nitrogen-Donor Ligands |
| title_short | Synthesis, Characterization, Thermal Analysis, DFT, and Cytotoxicity of Palladium Complexes with Nitrogen-Donor Ligands |
| title_sort | synthesis characterization thermal analysis dft and cytotoxicity of palladium complexes with nitrogen donor ligands |
| topic | palladium complex dinitrogen ligands cytotoxicity hydrolysis DFT TDDFT |
| url | https://www.mdpi.com/1420-3049/27/3/964 |
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