The Anticancer Activities of Some Nitrogen Donor Ligands Containing bis-Pyrazole, Bipyridine, and Phenanthroline Moiety Using Docking Methods
Joint Authors
Adeniyi, Adebayo A.
Ajibade, Peter A.
Source
Bioinorganic Chemistry and Applications
Issue
Vol. 2018, Issue 2018 (31 Dec. 2018), pp.1-12, 12 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2018-06-04
Country of Publication
Egypt
No. of Pages
12
Main Subjects
Abstract EN
The anticancer study of nitrogen-chelating ligands can be of tremendous help in choosing ligands for the anticancer metal complexes design especially with ruthenium(II).
The inhibitory anticancer activities of some nitrogen-chelating ligands containing bis-pyrazole, bipyridine, and phenanthroline were studied using experimental screening against cancer cell and theoretical docking methods.
In vitro anticancer activities showed compound 11 as the most promising inhibitor, and the computational docking further indicates its strong inhibitory activities towards some cancer-related receptors.
Among the twenty-one modelled ligands, pyrazole-based compounds 7, 11, and 15 are the most promising inhibitors against the selected receptors followed by 18 and 21 which are derivatives of pyridine and phenanthroline, respectively.
The presence of the carboxylic unit in the top five ligands that displayed stronger inhibitory activities against the selected receptors is an indication that the formation of noncovalent interactions such as hydrogen bonding and a strong electron-withdrawing group in these compounds are very important for their receptor interactions.
The thermodynamic properties, the polarizabilities, and the LUMO energy of the compounds are in the same patterns as the observed inhibitory activities.
American Psychological Association (APA)
Adeniyi, Adebayo A.& Ajibade, Peter A.. 2018. The Anticancer Activities of Some Nitrogen Donor Ligands Containing bis-Pyrazole, Bipyridine, and Phenanthroline Moiety Using Docking Methods. Bioinorganic Chemistry and Applications،Vol. 2018, no. 2018, pp.1-12.
https://search.emarefa.net/detail/BIM-1123164
Modern Language Association (MLA)
Adeniyi, Adebayo A.& Ajibade, Peter A.. The Anticancer Activities of Some Nitrogen Donor Ligands Containing bis-Pyrazole, Bipyridine, and Phenanthroline Moiety Using Docking Methods. Bioinorganic Chemistry and Applications No. 2018 (2018), pp.1-12.
https://search.emarefa.net/detail/BIM-1123164
American Medical Association (AMA)
Adeniyi, Adebayo A.& Ajibade, Peter A.. The Anticancer Activities of Some Nitrogen Donor Ligands Containing bis-Pyrazole, Bipyridine, and Phenanthroline Moiety Using Docking Methods. Bioinorganic Chemistry and Applications. 2018. Vol. 2018, no. 2018, pp.1-12.
https://search.emarefa.net/detail/BIM-1123164
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1123164