In many scholars’ investigation, inhibition of bacterial infectious diseases is one feature of organic ligands. However, identifying the right properties of the ligand have a significant role in medicinal applications. Therefore, 1, 10-phenanthroline and adenine are a rigid planar bidentate chelating agent ligand; which have a high stack interaction with the DNA base and have high biological activities. Furtherly, the quantum chemical distributors are also the key condition to get the therapeutic property. Hence in this review, we conduct the calculated quantum chemical distributors and in relating to this, the chemical reactivity and biological activity of ligands also carried out. The calculated energy gap for 1, 10-phenantheroline and adenine is 4.755 eV and 5.350 eV, respectively suggests that 1, 10-phenantheroline has good chemical reactivity and biological activity than adenine. Other calculated quantum chemical parameters namely, electronegativity, electronic chemical potential, global hardness, global softness, global electrophilicity index, and nucleophilicity index values, their chemical properties, and biological properties of the ligands summarized. The result of these parameters is agreed with the experimental values. The in vitro antibacterial activities of the ligands were tested on two G+ Streptococcus pyogenes, Staphylococcus aureus and two G-; Escherichia coli, Klebsiella pneumoniae bacteria and the results showed that, the in vitro antibacterial activity of 1, 10 phenanthroline significantly greater than adenine.
| Published in | International Journal of Bioorganic Chemistry (Volume 9, Issue 1) |
| DOI | 10.11648/j.ijbc.20240901.12 |
| Page(s) | 8-13 |
| Creative Commons |
This is an Open Access article, distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution and reproduction in any medium or format, provided the original work is properly cited. |
| Copyright |
Copyright © The Author(s), 2024. Published by Science Publishing Group |
Quantum Chemical Parameters, Chemical Reactivity, Biological Activity and Ligands
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APA Style
Mersha, T. B., Agegne, A. (2024). Short Review on Quantum Chemical Calculation, Chemical Reactivity, Biological Activity Comparison of 1,10-Phenanthroline and Adenine Ligands. International Journal of Bioorganic Chemistry, 9(1), 8-13. https://doi.org/10.11648/j.ijbc.20240901.12
ACS Style
Mersha, T. B.; Agegne, A. Short Review on Quantum Chemical Calculation, Chemical Reactivity, Biological Activity Comparison of 1,10-Phenanthroline and Adenine Ligands. Int. J. Bioorg. Chem. 2024, 9(1), 8-13. doi: 10.11648/j.ijbc.20240901.12
AMA Style
Mersha TB, Agegne A. Short Review on Quantum Chemical Calculation, Chemical Reactivity, Biological Activity Comparison of 1,10-Phenanthroline and Adenine Ligands. Int J Bioorg Chem. 2024;9(1):8-13. doi: 10.11648/j.ijbc.20240901.12
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Download@article{10.11648/j.ijbc.20240901.12,
author = {Tadesse Bizuayehu Mersha and Abebaw Agegne},
title = {Short Review on Quantum Chemical Calculation, Chemical Reactivity, Biological Activity Comparison of 1,10-Phenanthroline and Adenine Ligands},
journal = {International Journal of Bioorganic Chemistry},
volume = {9},
number = {1},
pages = {8-13},
doi = {10.11648/j.ijbc.20240901.12},
url = {https://doi.org/10.11648/j.ijbc.20240901.12},
eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.ijbc.20240901.12},
abstract = {In many scholars’ investigation, inhibition of bacterial infectious diseases is one feature of organic ligands. However, identifying the right properties of the ligand have a significant role in medicinal applications. Therefore, 1, 10-phenanthroline and adenine are a rigid planar bidentate chelating agent ligand; which have a high stack interaction with the DNA base and have high biological activities. Furtherly, the quantum chemical distributors are also the key condition to get the therapeutic property. Hence in this review, we conduct the calculated quantum chemical distributors and in relating to this, the chemical reactivity and biological activity of ligands also carried out. The calculated energy gap for 1, 10-phenantheroline and adenine is 4.755 eV and 5.350 eV, respectively suggests that 1, 10-phenantheroline has good chemical reactivity and biological activity than adenine. Other calculated quantum chemical parameters namely, electronegativity, electronic chemical potential, global hardness, global softness, global electrophilicity index, and nucleophilicity index values, their chemical properties, and biological properties of the ligands summarized. The result of these parameters is agreed with the experimental values. The in vitro antibacterial activities of the ligands were tested on two G+ Streptococcus pyogenes, Staphylococcus aureus and two G-; Escherichia coli, Klebsiella pneumoniae bacteria and the results showed that, the in vitro antibacterial activity of 1, 10 phenanthroline significantly greater than adenine.
},
year = {2024}
}
TY - JOUR T1 - Short Review on Quantum Chemical Calculation, Chemical Reactivity, Biological Activity Comparison of 1,10-Phenanthroline and Adenine Ligands AU - Tadesse Bizuayehu Mersha AU - Abebaw Agegne Y1 - 2024/01/18 PY - 2024 N1 - https://doi.org/10.11648/j.ijbc.20240901.12 DO - 10.11648/j.ijbc.20240901.12 T2 - International Journal of Bioorganic Chemistry JF - International Journal of Bioorganic Chemistry JO - International Journal of Bioorganic Chemistry SP - 8 EP - 13 PB - Science Publishing Group SN - 2578-9392 UR - https://doi.org/10.11648/j.ijbc.20240901.12 AB - In many scholars’ investigation, inhibition of bacterial infectious diseases is one feature of organic ligands. However, identifying the right properties of the ligand have a significant role in medicinal applications. Therefore, 1, 10-phenanthroline and adenine are a rigid planar bidentate chelating agent ligand; which have a high stack interaction with the DNA base and have high biological activities. Furtherly, the quantum chemical distributors are also the key condition to get the therapeutic property. Hence in this review, we conduct the calculated quantum chemical distributors and in relating to this, the chemical reactivity and biological activity of ligands also carried out. The calculated energy gap for 1, 10-phenantheroline and adenine is 4.755 eV and 5.350 eV, respectively suggests that 1, 10-phenantheroline has good chemical reactivity and biological activity than adenine. Other calculated quantum chemical parameters namely, electronegativity, electronic chemical potential, global hardness, global softness, global electrophilicity index, and nucleophilicity index values, their chemical properties, and biological properties of the ligands summarized. The result of these parameters is agreed with the experimental values. The in vitro antibacterial activities of the ligands were tested on two G+ Streptococcus pyogenes, Staphylococcus aureus and two G-; Escherichia coli, Klebsiella pneumoniae bacteria and the results showed that, the in vitro antibacterial activity of 1, 10 phenanthroline significantly greater than adenine. VL - 9 IS - 1 ER -
Department of Chemistry, Debark University, Debark, Ethiopia
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