Table 3.
Docking scores of anti malarial molecules with main protease (6LU7).
| S.no | Entry Name | docking score | glide gscore | glide emodel |
|---|---|---|---|---|
| 1 | Amodiaquine | −7.429 | −8.023 | −76.898 |
| 2 | Mefloquine | −6.873 | −6.876 | −53.961 |
| 3 | Quinine | −6.508 | −6.522 | −50.551 |
| 4 | Primaquine | −6.361 | −6.361 | −59.673 |
| 5 | Halofantrine | −6.352 | −6.354 | −68.585 |
| 6 | Lumefantrine | −6.202 | −6.226 | −62.308 |
| 7 | Chloroquine | −6.075 | −6.111 | −56.559 |
| 8 | Piperaquine | −5.748 | −6.009 | −69.174 |
| 9 | Sulfadoxine | −5.516 | −5.668 | −52.974 |
| 10 | Atovaquone | −5.493 | −5.5 | −47.59 |
| 11 | Artenimol | −5.178 | −5.178 | −38.26 |
| 12 | Atovaquone | −5.121 | −5.128 | −48.149 |
| 13 | Artesunate | −4.862 | −4.862 | −45.28 |
| 14 | Proguanil | −4.842 | −5.252 | −38.978 |
| 15 | Artemether | −4.764 | −4.764 | −30.727 |
| 16 | Piperaquine | −4.716 | −6.879 | −82.308 |