Table 2 Screen of ligands through autodock vina using pyrx.
Sr. No. | Ligands | Binding Energies KJ/mol |
|---|---|---|
Flavonoids | ||
1 | Chamanetin | − 7.2 |
2 | Cyclocommunol | − 6.9 |
3 | Lupinifolin | − 6.9 |
4 | Neobavaisoflavone | − 6.7 |
5 | 8-Diprenyleriodictyol | − 6.8 |
6 | 6-Prenylpinocembrin | − 6.4 |
7 | Brazilin | − 6.2 |
8 | Quercetin | − 6.2 |
9 | Myricetin | − 6.1 |
10 | Candidone | − 5.9 |
Diterpenoids | ||
11 | Teucrin | − 7.0 |
12 | Dehydroabietic_acid | − 6.6 |
13 | Carnosol | − 6.5 |
14 | Bafoudiosbulbin | − 6.3 |
15 | Lagascatriol | − 6.3 |
16 | Aethiopinone | − 6.1 |
17 | Ferruginol | − 6.0 |
18 | Carnosic_acid | − 6.0 |
19 | 19-Dihydroxyserrulat-14-ene | − 5.4 |
Quinolines | ||
20 | Ofloxacin | − 6.9 |
21 | Laquinimod | − 6.4 |
22 | Pamaquine | − 5.6 |
23 | Evocarpine | − 5.4 |
24 | 4-Methylquinoline | − 5.3 |
25 | 8-Hydroxyquinoline | − 5.2 |
26 | Clioquinol | − 5.1 |
