Synthesis of some new protic N1-Benzyl/Butyl-2-methyl-4-nitro-1H-imidazol-3-ium salts with 3,5-Diaminobenzoate, 3,5-Dinitrobenzoate, (E)-3-(4-Hydroxy-3-methoxyphenyl)acrylate and 2-Carboxy-5-nitrobenzoate as organic anions

Protein-ligand binding interactions of imidazolium salts with SARS CoV-2

“…Figure 4. The structure of a) imidazoles (3a-i) [35,37], b) imidazolium cations and c) organic anions [36,37]. The immune-suppressant drug Mizoribine (MZB) is an imidazole nucleoside ( Figure 3a), which inhibits SARS-CoV [26,27] and it is isolated from the fungus Penicillium brefeldianum [28].…”

“…The several imidazole derivatives and imidazolium-based ionic salts were examined to identify their interaction and inhibition activity against coronavirus as antiviral agents [33,34]. In our previous work, we reported the synthesis of N 1 -(4-substitutedbenzyl)-2-methyl-4-nitro-1H-imidazoles and N 1 -butyl-2-methyl-4-nitro-1H-imidazoles ( Figure 4) [35] and thirty six Brønsted acidic based imidazolium salts incorporated with aromatic organic anions ( Figure 4) [36,37]. In continuation of our previous work, we would like to report, in the present article, a discovery of small molecules as new potential drugs for the inhibition of SARS CoV-2 contamination.…”

“…We strongly believe and hope that our results will accelerate the discernment of the binding affinities of imidazolium salts with SARS CoV-2 (Nsp9 RNA binding protein; PDB code: 6W4B) [38] as inhibitors and improve clinical strategies against the deadly carnivorous disease. [35,36,37]. Molecular docking simulations were performed using the 1-Click docking program to ascertain the binding nature and associative interactions with the Nsp9 RNA binding protein of SARS CoV-2, which was released from the Protein Data Bank (PDB code: 6W4B, Figure 5) [38].…”