Molecular docking, Biological Evaluation of a Co (II) Complex derivative of N⁵, N⁵-di(piperidine-2-carbonyl)-[2,2'-bipyridine]-5,5'-dicarboxamide Ligand
1 Department of Pharmaceutical Chemistry, Faculty of Pharmacy, University of Kufa, Najaf, Iraq.
2 Dhi Qar Education Directorate, DhiQar, Iraq.
Research Article
Open Access Research Journal of Biology and Pharmacy, 2025, 14(02), 053–061.
Article DOI: 10.53022/oarjbp.2025.14.2.0036
Publication history:
Received on 22 July 2025; revised on 26 August; accepted on 29 August 2025
Abstract:
In this study, a new multidentate ligand based on the 2,2'-bipyridine derivatives incorporating diamide functional group were made/created and their corresponding change (from one thing to another) metal complex with cobalt(II), were prepared.The ligand were made/created by oxidizing of the predictor compound of 5,5'-dimethyl-2,2'- bipyridine to the acid derivatives which was (after that) converted into the acidchloride derivatives with thionyl chloride, then following treatment with the amines, Pipecolic acid (piperidine-2-carboxylic acid, afforded the diamide-functionalised ligandd L1 and L2, (match up each pair of items in order). The structure of the ligand and the change (from one thing to another) metal complex was proven true by elemental analysis, HNMR, 13C NMR FTIR, UV-Vis, and mass ways of doing things. The molecular docking of the resulting complex with proteins from Gram-positive Staphylococcus aureus and Gram-negative Escherichia coli was studied, and the interactions for protein binding were predicted. The most effective binding energy, bond type, and length of the prepared complex and amino acids were also studied. Since the complex has provided binding energy in the results of molecular docking(ΔG = -8.16983) (ΔG =- 7.3712139) and as a result of the value) RMSD =2.535362( ) RMSD =2.1251116 (it will have potential therapeutic potential in inhibiting the action of Gram-negative and Gram-positive bacteria with the protein)6MH4, 2ea9 ( The biological activity of the pure complex in inhibiting bacteria was studied using two types of bacteria: the Gram-positive Staphylococcus aureus and the Gram-negative Escherichia coli. The effect of these two types of bacteria on the ligand alone was studied, and its effect on inhibiting bacteria was compared when using the prepared complex N. It was found that the prepared complex had a much higher effect on inhibiting bacteria than when using the ligand alone.
Keywords:
2,2-Bipyridine-5,5 dicarboxamide; Bipyridyl derivatives; Cobalt (II) complex; Ligand
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