Design and synthesis of some imidazole derivatives: theoretical evaluation of interaction with a coronavirus (HCoV-NL63)
Compounds 3 and 5 have a higher affinity by 5ewp protein surface compared with hydroxylchloroquine, favipiravir, 2 and 6-8 and could inhibit the biological activity of coronavirus.
Abstract
Some compounds have been developed for the treatment of Severe Acute Respiratory Syndrome Coronavirus (SARS-CoV) using different protocols; however, some methods use different reagents which are dangerous and require special conditions. the objective of this investigation was to synthesize some imidazole derivatives from 2-methyl-5-nitroimidazole using some reactions such as etherification, reduction, and a hydroxy-keto derivative formation. In addition, the theoretical activity of imidazole derivatives (compounds 2, 3 and 5-8) was evaluated in a docking model using hydroxylchloroquine and favipiravir as controls. The results showed that 1) compounds 3 and 5 have a higher affinity by 5ewp protein surface compared with hydroxylchloroquine, favipiravir, 2 and 6-8. In conclusion, compounds 3 and 5 could inhibit the biological activity of coronavirus.