Abstract
A variety of new mixed-ligand Schiff-base complexes with general formula [Cu(SBn)(py)]ClO4 (n = 1–5) and [Cu(SBn)(BTZ)]ClO4 (n = 1a–5a) were synthesized and characterized. In these complexes, the NN'O-type unsymmetrical Schiff-base ligands (SBn) were formed from the equimolar condensation of 1,2-ethylenediamine with salicylaldehyde (1, 1a), 3-methoxysalicylaldehyde (2, 2a), 3,5-dibromosalicylaldehyde (3, 3a), 3-methoxy-5-bromosalicylaldehyde (4, 4a) and 6-methoxysalicylaldehyde (5, 5a). The complexes were characterized by FT-IR and UV–Vis spectroscopy and elemental analysis. The crystal structures of the complexes 3, 2a, 3a, 4a and 5a were also obtained by single-crystal X-ray diffraction (SCXRD). Molecular docking studies were done on SARS-Cov-2 Mpro (PDB ID: 6LU7) and SARS-CoV-2 Omicron Variant protease (PDB ID: 7TLL). Based on estimated free binding energy (EFBE), the complex (3a) showed the highest activity. The complexes (2 and 1) against 6LU7, and (1 and 4) against 7TLL showed the least EFBE. The EFBE results were better than the four studied standard drugs (Remdesivir, Hydroxychloroquine, Dexamethasone and Oxford-AstraZeneca Covid-19 vaccine). The molecular docking results are discussed based on the structural properties of the main ligands in the complexes.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
