To study the inhibitory effect of emodin on SARS-CoV-2 RNA polymerase (RdRp) and main protease (Mpro) and predict the anti-SARS-CoV-2 activity of anthraquinone compounds.
A cell-level SARS-CoV-2 RNA polymerase catalytic reaction system was used to detect the inhibitory activity of emodin against RdRp. An in vitro fluorescence polarization model was used to test the inhibitory activity of emodin against SARS-CoV-2 Mpro. Molecular docking technology was used to study the binding mode of anthraquinone compounds at the active site of RdRp.
The experiment showed that emodin inhibited RdRp with inhibition rates of 42.01%±3.43%, 47.28%±11.20% and 84.28%±4.34% at concentrations of 10, 25, 50 μmol/L, respectively. It did not show significant inhibitory activity against Mpro at drug concentrations of 25, 50, 100 μmol/L. Anthraquinone compounds can occupy the NTPs channel of the target enzyme, thereby hindering the entry of substrate molecules.
This experiment confirmed that emodin has a significant inhibitory effect on SARS-CoV-2 RNA polymerase. The small molecule anthraquinone compounds in this paper should have strong anti-SARS-CoV-2 activity.
| 科 Family | 属数 Number of genus | 种数 Number of species | 占总种数比例 Percentage of total species (%) | 属 Genus | 种数 Number of species | 占总种数比例 Percentage of total species (%) |
|---|---|---|---|---|---|---|
| 鹅膏菌科Amanitaceae | 2 | 11 | 5.26 | 鹅膏菌属 Amanita | 10 | 4.78 |
| 小菇科 Mycenaceae | 2 | 12 | 5.74 | 丝盖伞属 Inocybe | 5 | 2.39 |
| 多孔菌科 Polyporaceae | 8 | 14 | 6.70 | 蜡蘑属 Laccaria | 5 | 2.39 |
| 红菇科 Russulaceae | 3 | 23 | 11.00 | 小皮伞属 Marasmius | 6 | 2.87 |
| 小菇属 Mycena | 11 | 5.26 | ||||
| 光柄菇属 Pluteus | 5 | 2.39 | ||||
| 红菇属 Russula | 17 | 8.13 | ||||
| 栓菌属 Trametes | 5 | 2.39 |