Table 3.
Interactions between with M pro and the thirteen potent inhibitors.
| Molecules | Interactions with Protein via | |
|---|---|---|
| Chain A | Chain B | |
| Sphaeropsidin A | Arg-4, Lys-5 | Glu-288 |
| Gypsogenic acid | Arg-4 | Glu-283 |
| Yardenone | Arg-4, Gly-283 | Arg-4 |
| A-homo-3a-oxa-5beta-olean-12-en-3- one-28-oic acid | None | Arg-4, Glu-288 |
| Epigallocatechin | Lys-137, 2Glu-288, Asp-289, Glu-290 | Arg-4 |
| Neopellitorine B | Lys-137, Thr-169, Leu-287, Asp-289 | Thr-280, 2Glu-283 |
| Caretroside A | Glu-288 | Trp-207, Gly-283, Lys-5 |
| Pallidol | Phe-3, Asp-289 | Lys-5, Glu-288 |
| Maslinic acid | Phe-3 | Leu-282 |
| Cabralealactone | Arg-4 | Leu-282 |
| Olibanumol H | Arg-4, Gly-138 | Lys-5, 2Phe-3 |
| Clionamine D | Phe-3, Leu-282 | Phe-3, Leu-282 |