Synthesis and spectroscopic study of novel mixed ligand formula Artemisinin/Zn and assessment of its inhibitory effect against SARS-CoV-2

Background: Herein, a newly synthesised mixed ligand artemisinin/zinc (Art/Zn) is chemically characterised and examined against SARS-CoV-2.Methods: The synthesised complex was thoroughly characterised using various spectroscopic methods (FT-IR, UV and XRD). Its surface morphology and chemical purity were investigated using transmission electron microscopy (TEM), scanning electron microscopy (SEM) and energy-dispersive X-ray (EDX) analysis. The synthesised Art/Zn complex was tested for its inhibitory effects against SARS-CoV-2 using inhibitory concentration 50 (IC50) and cytotoxicity concentra-tion 50 (CC50).Results: The results reveal that the Art/Zn complex exhibits a moderate in vitro inhibitory effects against SARS-CoV-2, with a CC50 index of 213.6 & mu;g/ml and an IC50 index of 66.79 & mu;g/ml. Notably, it exhibits the inhibitory effect (IC50 = 66.79 & mu;g/ml) at a very low concentration without any observable cytotoxic effects on host cells (CC50 = 213.6 & mu;g/ml). Its mode of action against SARS-CoV-2 involves inhibiting the viral replication. The predicted target classes that Art/Zn may affect include kinases, which can regulate and inhibit the viral replication and binding to the angiotensin-converting enzyme-2 (ACE2) receptor and the main protease inhibitor (MPro), thereby inhibiting the activity of SARS-CoV-2 and proved by the molecular dynamics simulation.Conclusion: We recommend using the Art/Zn complex owing to its moderate inhibitory and antiviral effects against the SARS-CoV-2 with a low cytotoxic effect on host (Vero E6) cells. We suggest conducting further prospective studies to investigate the biological effects of Art/Zn in animal models at different concentrations for testing its clinical efficacy and safety in inhibiting SARS-CoV-2 activities.

Automated summary

A newly synthesised mixed ligand artemisinin/zinc complex is chemically characterised and examined for its inhibitory effects against SARS-CoV-2. The complex exhibits moderate inhibitory effects without cytotoxicity on host cells, and its mode of action involves inhibiting viral replication. Molecular dynamics simulation confirms the binding of the complex to key targets of SARS-CoV-2. Further studies are recommended to investigate the biological effects of the complex in animal models and to test its clinical efficacy and safety.