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Synthesis of Novel VO(II)-Perimidine Complexes: Spectral, Computational, and Antitumor Studies
A series of perimidine derivatives (L(1–5)) were prepared and characterized by IR, (1)H·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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Hindawi
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6151213/ https://www.ncbi.nlm.nih.gov/pubmed/30271430 http://dx.doi.org/10.1155/2018/7176040 |
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author | Al-Hazmi, Gamil A. Abou-Melha, Khlood S. El-Metwaly, Nashwa M. Saleh, Kamel A. |
author_facet | Al-Hazmi, Gamil A. Abou-Melha, Khlood S. El-Metwaly, Nashwa M. Saleh, Kamel A. |
author_sort | Al-Hazmi, Gamil A. |
collection | PubMed |
description | A series of perimidine derivatives (L(1–5)) were prepared and characterized by IR, (1)H·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 L(3) 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. IC(50) values represent promising efficiency of the L(4)-VO(II) complex against breast, colon, and liver carcinoma cell lines. The binding efficiency of ligands towards CT-DNA was tested. Binding constant (K (b)) values are in agreement with the electron-drawing character of the p-substituent which offers high K (b) values. Also, variable Hammett's relations were drawn. |
format | Online Article Text |
id | pubmed-6151213 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | Hindawi |
record_format | MEDLINE/PubMed |
spelling | pubmed-61512132018-09-30 Synthesis of Novel VO(II)-Perimidine Complexes: Spectral, Computational, and Antitumor Studies Al-Hazmi, Gamil A. Abou-Melha, Khlood S. El-Metwaly, Nashwa M. Saleh, Kamel A. Bioinorg Chem Appl Research Article A series of perimidine derivatives (L(1–5)) were prepared and characterized by IR, (1)H·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 L(3) 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. IC(50) values represent promising efficiency of the L(4)-VO(II) complex against breast, colon, and liver carcinoma cell lines. The binding efficiency of ligands towards CT-DNA was tested. Binding constant (K (b)) values are in agreement with the electron-drawing character of the p-substituent which offers high K (b) values. Also, variable Hammett's relations were drawn. Hindawi 2018-09-06 /pmc/articles/PMC6151213/ /pubmed/30271430 http://dx.doi.org/10.1155/2018/7176040 Text en Copyright © 2018 Gamil A. Al-Hazmi et al. http://creativecommons.org/licenses/by/4.0/ This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. |
spellingShingle | Research Article Al-Hazmi, Gamil A. Abou-Melha, Khlood S. El-Metwaly, Nashwa M. Saleh, Kamel A. Synthesis of Novel VO(II)-Perimidine Complexes: Spectral, Computational, and Antitumor Studies |
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 |
topic | Research Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6151213/ https://www.ncbi.nlm.nih.gov/pubmed/30271430 http://dx.doi.org/10.1155/2018/7176040 |
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