Schiff base ligands derived from 4-chloro-6-methylpyrimidin-2-amine: Chemical synthesis, bactericidal activity and molecular docking studies against targeted microbial pathogen
Kollur Shiva Prasad1, Chandan Shivamallu2, SM Gopinath3, Chandrashekar Srinivasa3, Chandan Dharmashekara3, P Sushma2, Anisha S Jain2, P Ashwini4
1 Department of Sciences, Amrita School of Arts and Sciences, Amrita Vishwa Vidyapeetham, Mysore Campus, Mysore, Karnataka, India
2 Division of Biotechnology and Bioinformatics, School of Life Sciences, JSS Academy of Higher Education and Research, Mysore, Karnataka, India
3 Department of Biotechnology, Davangere University, Davanagere, Karnataka, India
4 Division of Microbiology and Tissue Culture, School of Life Sciences, JSS Academy of Higher Education and Research, Mysore, Karnataka, India
Dr. Chandrashekar Srinivasa
Division of Biotechnology and Bioinformatics, School of Life Sciences, JSS Academy of Higher Education and Research, Mysuru - 570 015, Karnataka
Source of Support: None, Conflict of Interest: None
BACKGROUND: Schiff base is also known as imine or azomethine that typically contain nitrogen analog of an aldehyde or ketone in which the carbonyl group (C = O) has been replaced by an imine or azomethine group. In this study, we describe the synthesis of three Schiff base ligands, which are prepared by the condensation of 4-chloro-6-methyl pyrimidine-2-amine with various aromatic aldehydes and those synthesized compounds treated against various microbial pathogens, they were also supported by In silico approach.
MATERIALS AND METHODS: The synthesized compounds (L1-L3) were characterized by analytical and spectral techniques. In silico molecular docking, the analysis was carried out with the three Schiff base ligands against Gram-positive bacteria, Gram-negative bacterial and fungal outer membrane proteins to check for the binding affinity and molecular interactions.
RESULTS: All the synthesized compounds were treated against various microbial pathogens, and the obtained microbial inhibitor results were docked against the synthesized compounds to understand their best interaction studies. The results revealed that the ligands have considerably shown lower binding energy and good hydrogen bonding and hydrophobic interactions against various microorganisms.
CONCLUSION: All three Schiff base ligands compounds were examined In vitro for their antibacterial and antifungal potentials. Furthermore, the prepared compounds were exposed to in silico studies against selected bacterial proteins. Thus, the present study could be valuable in the discovery of new potent antimicrobial agents.