When the new coronavirus (SARS-CoV-2) infects host cells, a huge precursor protein is synthesized from RNA derived from the virus. The precursor protein is cleaved by various proteases and becomes functional proteins necessary for the growth of viruses. The main protease (Mpro) is one of the such precursor proteases and is an essential one for the growth of viruses.
A group of Univ. of Medical Sciences and Technology, Khartoum, Sudan has used this main protease to evaluate the inhibitory effects of plant-derived components used as traditional Sudanese medicines by molecular docking and molecular dynamic simulations.
https://link.springer.com/article/10.1007/s40203-020-00073-8
As a result, the following plant-derived ingredients are expected as inhibitors of the novel coronavirus. Expect in vivo ratings.
| Name | Energy (kcal/mol) | Predicted LD50 mg/kg |
| Gallic acid | − 17.45 | 2260 |
| Quercetin | − 15.81 | 159 |
| Naringin | − 14.50 | 2300 |
| Capsaicin | − 13.90 | 47 |
| Psychotrine | − 13.50 | 480 |