In Vitro Anti-SARS-CoV-2 Activity of Selected Metal Compounds and Potential Molecular Basis for Their Actions Based on Computational Study

Metal-based drugs represent a rich source of chemical substances of potential interest for the treatment of COVID-19. To this end, we have developed a small but representative panel of nine metal compounds, including both synthesized and commercially available complexes, suitable for medical application and tested them in vitro against the SARS-CoV-2 virus. The screening revealed that three compounds from the panel, i.e., the organogold(III) compound Aubipyc, the ruthenium(III) complex KP1019, and antimony trichloride (SbCl3), are endowed with notable antiviral properties and an acceptable cytotoxicity profile. These initial findings prompted us to perform a computational study to unveil the likely molecular basis of their antiviral actions. Calculations evidenced that the metalation of nucleophile sites in SARS-CoV-2 proteins or nucleobase strands, induced by Aubipyc, SbCl3, and KP1019, is likely to occur. Remarkably, we found that only the deprotonated forms of Cys and Sec residues can react favorably with these metallodrugs. The mechanistic implications of these findings are discussed.

The crystal structure of diphenyalmine hydrochloride antimony trichloride co-crystallizate, C12H12Cl4NSb – Localization of hydrogen atoms

C12H12Cl4NSb, monoclinic, P21/n (no. 14), a = 5.6693(2) Å, b = 20.2385(7) Å, c = 14.3908(5) Å, β = 100.3830(10)°, V = 1624.14(10) Å3, Z = 4, R gt (F) = 0.0192, wR ref (F 2) = 0.0430, T = 200 K.

SbCl3 Initiated Conjunctive C-H Bond Functionalization and Carbochlorination between Glycine Esters and Methylenecyclopropanes (MCPs)

In the presence of dioxygen, an antimony trichloride enabled conjunctive sp3 C-H bond functionalization and carbochlorination of glycines was realized, providing a series of chlorinated quinolines in high yields. The...

Antimony Diiminopyridine Complexes

The stoichiometric reactions of antimony trichloride, trimethylsilyl trifluoromethanesulfonate, and diiminopyridine ligands lead to the formation of N,N′,N″-chelated SbCl2 cationic complexes. Methyl, phenyl substituents on the imine carbons of the ligand...

Transmetallation of bis(6-diphenylphosphinoxy-acenapth-5-yl)mercury with tin tetrachloride, antimony trichloride and bismuth trichloride

The synthesis and structure of well-defined arylelement chlorides RSnCl4, RSnCl3·THF, RSbCl2, RSbCl2·THF and RBiCl2 is reported (R = 6-diphenylphosphinoxy-acenapth-5-yl).