In 2022,Ozdemir, Mucahit; Koksoy, Baybars; Ceyhan, Deniz; Sayin, Koray; Ercag, Erol; Bulut, Mustafa; Yalcin, Bahattin published an article in Journal of Biomolecular Structure and Dynamics. The title of the article was 《Design and in silico study of the novel coumarin derivatives against SARS-CoV-2 main enzymes》.Computed Properties of C3H5N3 The author mentioned the following in the article:
The novel coronavirus (SARS-CoV-2) causes severe acute respiratory syndrome and can be fatal. In particular, antiviral drugs that are currently available to treat infection in the respiratory tract have been experienced, but there is a need for new antiviral drugs that are targeted and inhibit coronavirus. The antiviral properties of organic compounds found in nature, especially coumarins, are known and widely studied. Coumarins, which are also metabolites in many medicinal drugs, should be investigated as inhibitors against coronavirus due to their pharmacophore properties (low toxicity and high pharmacokinetic properties). The easy addition of substituents to the chem. structures of coumarins makes these structures unique for the drug design. This study focuses on factors that increase the mol. binding and antiviral properties of coumarins. Mol. docking studies have been carried out to five different proteins (Spike S1-subunit, NSP5, NSP12, NSP15, and NSP16) of the SARS-CoV-2 and two proteins (ACE2 and VKORC1) of human. The best binding scores for 17 coumarins were determined for NSP12 (NonStructural Protein-12). The highest score (-10.01 kcal/mol) in the coumarin group is 2-morpholinoethan-1-amine substituted coumarin. Mol. mechanics Poisson-Boltzmann surface area (MM-PBSA) analyses of selected ligand-protein complexes were performed. The binding energies in each 5 ns were calculated and it was found that the interaction between ligand and target protein were stable. In addition to this study using 1H-Imidazol-2-amine, there are many other studies that have used 1H-Imidazol-2-amine(cas: 7720-39-0Computed Properties of C3H5N3) was used in this study.
1H-Imidazol-2-amine(cas: 7720-39-0) belongs to anime. Reduction of nitro compounds, RNO2, by hydrogen or other reducing agents produces primary amines cleanly (i.e., without a mixture of products), but the method is mostly used for aromatic amines because of the limited availability of aliphatic nitro compounds. Reduction of nitriles and oximes (R2C=NOH) also yields primary amines.Computed Properties of C3H5N3
Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem