Table 3.
Binding interactions of N3 and different polyphenols of green tea with the active site of SARS CoV-2 Mpro.
| Complex | Non-covalent interactions (other than H-bonding) |
|
|---|---|---|
| Polar | Hydrophobic | |
| N3 | Ser144, Asn142, | Phe140, Leu141, Met165, Glu166, Leu167, Pro168, His172, Ala191, Gln192 |
| Epigallocatechin (EGC) | Ser46, Asn142 | Leu141, Met165, Glu166, Ala191 |
| Gallocatechin (GC) | Ser46, Asn142 | Met49, Leu141, Met165, Gln189 |
| Catechin (C) | Thr24, Thr25, Thr45, Ser46 | Leu27, Met49 |
| Epicatechin (EC) | Thr45, Ser46, Gln189 | Met49, Leu141, Met165 |
| Catechin gallate (CG) | Gln189 | Phe140, Leu141, Met165, Glu166, His172 |
| Epigallocatechin gallate (EGCG) | Thr24, Thr25, Ser46, Asn142, Gln192 | Met49, Leu141, His163, Met165 |
| Epicatechingallate (ECG) | Thr24, Thr25, Thr45, Ser46, Asn142, Gln189 | Met49, Leu27, Leu141, Met165 |
| Gallocatechin-3-gallate (GCG) | Asn142, Gln189, Thr190, Gln192 | Met49, Leu141, Met165, Glu166, Arg188 |