<em>N</em>-((1<em>H</em>-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
Vinusha H. Mariwamy,
Shiva Prasad Kollur,
Bindya Shivananda,
Muneera Begum,
Chandan Shivamallu,
Chandan Dharmashekara,
Sushma Pradeep,
Anisha S. Jain,
Shashanka K. Prasad,
Asad Syed,
Abdallah M. Elgorban,
Salim Al-Rejaie,
Joaquín Ortega-Castro,
Juan Frau,
Norma Flores-Holguín,
Daniel Glossman-Mitnik
Affiliations
Vinusha H. Mariwamy
Department of Chemistry, Sri Jayachamarajendra College of Enegineering, JSS Science and Technology University, Mysuru 570 006, Karnataka, India
Shiva Prasad Kollur
School of Agriculture, Geography, Environment, Ocean and Natural Sciences (SAGEONS), Laucala Campus, The University of the South Pacific, Suva, Fiji
Bindya Shivananda
Department of Chemistry, Sri Jayachamarajendra College of Enegineering, JSS Science and Technology University, Mysuru 570 006, Karnataka, India
Muneera Begum
Department of Chemistry, Sri Jayachamarajendra College of Enegineering, JSS Science and Technology University, Mysuru 570 006, Karnataka, India
Chandan Shivamallu
Department of Biotechnology and Bioinformatics, School of Life Sciences, JSS Academy of Higher Education and Research, Mysuru 570 026, Karnataka, India
Chandan Dharmashekara
Department of Biotechnology and Bioinformatics, School of Life Sciences, JSS Academy of Higher Education and Research, Mysuru 570 026, Karnataka, India
Sushma Pradeep
Department of Biotechnology and Bioinformatics, School of Life Sciences, JSS Academy of Higher Education and Research, Mysuru 570 026, Karnataka, India
Anisha S. Jain
Department of Biotechnology and Bioinformatics, School of Life Sciences, JSS Academy of Higher Education and Research, Mysuru 570 026, Karnataka, India
Shashanka K. Prasad
Department of Biotechnology and Bioinformatics, School of Life Sciences, JSS Academy of Higher Education and Research, Mysuru 570 026, Karnataka, India
Asad Syed
Department of Botany and Microbiology, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia
Abdallah M. Elgorban
Department of Botany and Microbiology, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia
Salim Al-Rejaie
Department of Pharmacology and Toxicology, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia
Joaquín Ortega-Castro
Departament de Química, Universitat de les Illes Balears, E-07122 Palma de Mallorca, Spain
Juan Frau
Departament de Química, Universitat de les Illes Balears, E-07122 Palma de Mallorca, Spain
Norma Flores-Holguín
Laboratorio Virtual NANOCOSMOS, Departamento de Medio Ambiente y Energía, Centro de Investigación en Materiales Avanzados, Chihuahua 31136, Mexico
Daniel Glossman-Mitnik
Laboratorio Virtual NANOCOSMOS, Departamento de Medio Ambiente y Energía, Centro de Investigación en Materiales Avanzados, Chihuahua 31136, Mexico
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.
