To investigate the inhibitory pharmacological effects of Morusin on the function of the RNA polymerase of SARS-CoV-2, and the target enzyme inhibitory activity of 5 kinds of traditional Chinese medicine ingredients similar to mulberry sinin was predicted.
Molecular docking technology was used to study the binding mode of Morusin to the active site of the RNA polymerase of SARS-CoV-2. The inhibitory activity of Morusin on RNA polymerase was then tested using a cell-based RNA polymerase catalytic system. Five small molecules with structural analogs of morocinin were selected from the components of Morus traditional Chinese medicine, and their interaction patterns with amino acids at the active site of RNA polymerase were studied using molecular docking methods.
Morusin can firmly occupy the NTPs channel of RNA polymerase and block the entry of nucleotides, thereby inhibiting the nucleic acid replication function of RNA polymerase. Pharmacological experiments at the cellular level confirmed that the inhibitory activity of Morusin on RNA polymerase was stronger than that of the control drug remdesivir. At the same time, the 5 kinds of small molecules of the structural analogs of mulberry can also bind to the active site of RNA polymerase and have enzyme inhibitory activity.
This study has found that Morusin has strong inhibitory activity on RNA polymerase, the five analogs are also predicted to have strong RNA polymerase inhibitory activity, and the results can provide a reference for the development of anti-SARS-CoV-2 drugs.
| 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 |