Synthesis of Novel VO(II)-Perimidine Complexes: Spectral, Computational, and Antitumor Studies
A series of perimidine derivatives (L1–5) were prepared and characterized by IR, 1H·NMR, mass spectroscopy, UV-Vis, XRD, thermal, and SEM analysis. Five VO(II) complexes were synthesized and investigated by most previous tools besides the theoretical usage. A neutral tetradentate mode of bonding is...
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| Format: | Article |
| Language: | English |
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Wiley
2018-01-01
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| Series: | Bioinorganic Chemistry and Applications |
| Online Access: | http://dx.doi.org/10.1155/2018/7176040 |
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| author | Gamil A. Al-Hazmi Khlood S. Abou-Melha Nashwa M. El-Metwaly Kamel A. Saleh |
| author_facet | Gamil A. Al-Hazmi Khlood S. Abou-Melha Nashwa M. El-Metwaly Kamel A. Saleh |
| author_sort | Gamil A. Al-Hazmi |
| collection | DOAJ |
| description | A series of perimidine derivatives (L1–5) were prepared and characterized by IR, 1H·NMR, mass spectroscopy, UV-Vis, XRD, thermal, and SEM analysis. Five VO(II) complexes were synthesized and investigated by most previous tools besides the theoretical usage. A neutral tetradentate mode of bonding is the general approach for all binding ligands towards bi-vanadyl atoms. A square-pyramidal is the configuration proposed for all complexes. XRD analysis introduces the nanocrystalline nature of the ligand while the amorphous appearance of its metal ion complexes. The rocky shape is the observable surface morphology from SEM images. Thermal analysis verifies the presence of water of crystallization with all coordination spheres. The optimization process was accomplished using the Gaussian 09 software by different methods. The most stable configurations were extracted and displayed. Essential parameters were computed based on frontier energy gaps with all compounds. QSAR parameters were also obtained to give another side of view about the biological approach with the priority of the L3 ligand. Applying AutoDockTools 4.2 program over all perimidine derivatives introduces efficiency against 4c3p protein of breast cancer. Antitumor activity was screened for all compounds by a comparative view over breast, colon, and liver carcinoma cell lines. IC50 values represent promising efficiency of the L4-VO(II) complex against breast, colon, and liver carcinoma cell lines. The binding efficiency of ligands towards CT-DNA was tested. Binding constant (Kb) values are in agreement with the electron-drawing character of the p-substituent which offers high Kb values. Also, variable Hammett’s relations were drawn. |
| format | Article |
| id | doaj-art-c4cc764e0cdc4da39e87082499777d49 |
| institution | Kabale University |
| issn | 1565-3633 1687-479X |
| language | English |
| publishDate | 2018-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Bioinorganic Chemistry and Applications |
| spelling | doaj-art-c4cc764e0cdc4da39e87082499777d492025-02-03T01:23:44ZengWileyBioinorganic Chemistry and Applications1565-36331687-479X2018-01-01201810.1155/2018/71760407176040Synthesis of Novel VO(II)-Perimidine Complexes: Spectral, Computational, and Antitumor StudiesGamil A. Al-Hazmi0Khlood S. Abou-Melha1Nashwa M. El-Metwaly2Kamel A. Saleh3Chemistry Department, Faculty of Science, King Khalid University, P.O. Box 9004, Abha, Saudi ArabiaChemistry Department, Faculty of Science, King Khalid University, P.O. Box 9004, Abha, Saudi ArabiaChemistry Department, College of Applied Sciences, Umm Al-Qura University, Makkah, Saudi ArabiaBiology Department, Faculty of Science, King Khalid University, P.O. Box 9004, Abha, Saudi ArabiaA series of perimidine derivatives (L1–5) were prepared and characterized by IR, 1H·NMR, mass spectroscopy, UV-Vis, XRD, thermal, and SEM analysis. Five VO(II) complexes were synthesized and investigated by most previous tools besides the theoretical usage. A neutral tetradentate mode of bonding is the general approach for all binding ligands towards bi-vanadyl atoms. A square-pyramidal is the configuration proposed for all complexes. XRD analysis introduces the nanocrystalline nature of the ligand while the amorphous appearance of its metal ion complexes. The rocky shape is the observable surface morphology from SEM images. Thermal analysis verifies the presence of water of crystallization with all coordination spheres. The optimization process was accomplished using the Gaussian 09 software by different methods. The most stable configurations were extracted and displayed. Essential parameters were computed based on frontier energy gaps with all compounds. QSAR parameters were also obtained to give another side of view about the biological approach with the priority of the L3 ligand. Applying AutoDockTools 4.2 program over all perimidine derivatives introduces efficiency against 4c3p protein of breast cancer. Antitumor activity was screened for all compounds by a comparative view over breast, colon, and liver carcinoma cell lines. IC50 values represent promising efficiency of the L4-VO(II) complex against breast, colon, and liver carcinoma cell lines. The binding efficiency of ligands towards CT-DNA was tested. Binding constant (Kb) values are in agreement with the electron-drawing character of the p-substituent which offers high Kb values. Also, variable Hammett’s relations were drawn.http://dx.doi.org/10.1155/2018/7176040 |
| spellingShingle | Gamil A. Al-Hazmi Khlood S. Abou-Melha Nashwa M. El-Metwaly Kamel A. Saleh Synthesis of Novel VO(II)-Perimidine Complexes: Spectral, Computational, and Antitumor Studies Bioinorganic Chemistry and Applications |
| title | Synthesis of Novel VO(II)-Perimidine Complexes: Spectral, Computational, and Antitumor Studies |
| title_full | Synthesis of Novel VO(II)-Perimidine Complexes: Spectral, Computational, and Antitumor Studies |
| title_fullStr | Synthesis of Novel VO(II)-Perimidine Complexes: Spectral, Computational, and Antitumor Studies |
| title_full_unstemmed | Synthesis of Novel VO(II)-Perimidine Complexes: Spectral, Computational, and Antitumor Studies |
| title_short | Synthesis of Novel VO(II)-Perimidine Complexes: Spectral, Computational, and Antitumor Studies |
| title_sort | synthesis of novel vo ii perimidine complexes spectral computational and antitumor studies |
| url | http://dx.doi.org/10.1155/2018/7176040 |
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