N-((1H-Pyrrol-2-yl)methylene)-6-methoxypyridin-3-amine and its Co(II) and Cu(II) Complexes as antimicrobial agents: chemical preparation, in vitro antimicrobial evaluation, in Silico analysis and computational and theoretical chemistry investigations

Mariwamy, Vinusha and Kollur, Shiva P. and Shivananda, Bindya and Begum, Muneera and Shivamallu, Chandan and Dharmashekara, Chandan and Pradeep, Sushma and Jain, Anisha and Prasad, Shashanka and Syed, Asad and Elgorban, Abdallah and Al-Rejaie, Salim and Ortega-Castro, Joaquín and Frau, Juan and Flores-Holguín, Norma and Glossman-Mitnik, Daniel (2022) N-((1H-Pyrrol-2-yl)methylene)-6-methoxypyridin-3-amine and its Co(II) and Cu(II) Complexes as antimicrobial agents: chemical preparation, in vitro antimicrobial evaluation, in Silico analysis and computational and theoretical chemistry investigations. Molecules, 27 (4). NA. ISSN 1420-3049

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Abstract

Researchers are interested in Schiff bases and their metal complexes because they offer a wide range of applications. The chemistry of Schiff bases of heterocompounds has got a lot of attention because of the metal's ability to coordinate with Schiff base ligands. In the current study, a new bidentate Schiff base ligand, N-((1H-pyrrol-2-yl)methylene)-6-methoxypyridin-3-amine (MPM) has been synthesized by condensing 6-methoxypyridine-3-amine with pyrrole-2-carbaldehyde. Further, MPM is used to prepare Cu(II) and Co(II) metal complexes. Analytical and spectroscopic techniques are used for the structural elucidation of the synthesized compounds. Both MPM and its metal complexes were screened against Escherichia coli, Bacillus subtilis, Staphylococcus aureus and Klebsiella pneumoniae species for antimicrobial studies. Furthermore, these compounds were subjected to in silico studies against bacterial proteins to comprehend their best non-bonded interactions. The results confirmed that the Schiff base ligand show considerably higher binding affinity with good hydrogen bonding and hydrophobic interactions against various tested microbial species. These results were complemented with a report of the Conceptual DFT global reactivity descriptors of the studied compounds together with their biological scores and their ADMET computed parameters.

Item Type:	Journal Article
Subjects:	Q Science > QD Chemistry
Divisions:	School of Agriculture, Geography, Environment, Ocean and Natural Sciences (SAGEONS)
Depositing User:	Shiva Prasad Kollur
Date Deposited:	06 Mar 2022 23:58
Last Modified:	06 Mar 2022 23:58
URI:	https://repository.usp.ac.fj/id/eprint/13275

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