NOVEL SERIES OF THIAZOLE-BASED COMPLXES, CHARACTERIZATION, STRUCTURAL OPTIMIZATION, IN-VITRO AND IN-SILICO ASSESSMENTS AGAINST COVID-19 VIRUS COMPARED TO PALXLOVID DRUG

New thiazole-based complexes were prepared and suggested to be 1:1 metal to ligand ratio. This formula was built depending on different analyses. Various spectroscopic tools were used to confirm the mode of bonding for the ligand towards the metal ions. The ligand behaved as a neutral bidentate mode towards Cu(II), Co(II) and Ni(II) ions. The DFT method was applied to confirm the nucleophilicity of O(13) and N(2) atoms which qualified for excellent coordination. The new compounds were in-silico tested against 6lu7 and 6lzg as the main protease complex of COVID-19 and the receptor of coronavirus spike, respectively. This is according to the recent use of a thiazole-based compound (ritonavir) in treatment of COVID-19. This study was extended to handle the paxlovid antiviral (nirmatrelvir and ritonavir) in comparing to new compounds. The ritonavir drug as well as the Co(II) complex appeared as promising inhibitors. To deepen the study, we tested the cytotoxicity of the complexes and interestingly, the Co(II) complex showed a vital inhibition for liver and prostate cancers which exceeds 5-fluorouracil drug. © 2023 Chemical Society of Ethiopia and The Authors.

Synthesis, Characterization, Biological Activity, Molecular Docking and Thermal Analysis of Binuclear Complexes

Because of their potential medical applications as antimicrobial medicines, metal-ligand complexes have sparked a lot of attention. Synthesis and characterization of various metal-diamine complexes were the goals of the research detailed in this paper. As a result, synthesis of new binuclear ligand;N,N'-bis(3-carboxysalcylidene)-4-chloro-1,2-phenylenediamine (H(4)fsacph) which is derivative from the condensation of 3-formyl-2-hydroxybenzoic acid and 4-chlorobenzene-1,2-diamine has been performed. The new synthesized ligand has formed a mononuclear complex with Cu(II). The mononuclear Cu(II) complex was used to form binary nuclear complexes with some metal ions, like Cr(III), Mn(II), Fe(III), Ru(III), Pd(II) and La(III) ions. Elemental analysis, IR, UV-Visible, and thermal analyzes have been used to characterize the complexes. The interaction of a ligand with the receptors of Candida albicans and SARS-CoV-2 was predicted using molecular docking. Toward bacteria and fungi showing predominant activity against all fungi verified antibacterial activity of the synthesized complexes, while they have almost no activity against all bacteria. All compounds have shown antibacterial and antifungal activities, but the metal complexes showed better activities as compared to the original ligands, especially all zinc(II) complexes. The above results suggest that both ligands and their metal complexes have the potential to be explored as active pharmaceutical agents.