Research Article
Antimalarial Properties of Isoquinoline Derivative from Streptomyces hygroscopicus subsp. Hygroscopicus: An In Silico Approach
Table 2
Grid box scale of reverse molecular docking.
| No. | Protein targets (PDB ID) | Control ligand | Grid box scale | Center X | Center Y | Center Z | Size X | Size Y | Size Z |
| 1 | 1VYQ | DUX | 39.642 | −−11.423 | −9.416 | 20.929 | 18.116 | 18.059 | 2 | 3O8A | O8A | 27.327 | −11.500 | 17.077 | 19.029 | 14.315 | 14.932 | 3 | 2BLA | CP6 | 28.120 | 3.267 | 11.793 | 11.999 | 13.358 | 17.359 | 4 | 4FGZ | CQA | 19.138 | 26.353 | 14.428 | 31.372 | 25.182 | 30.762 | 5 | 1P9B | HDA | 26.315 | 86.090 | 28.993 | 13.599 | 14.757 | 14.304 | 6 | 2W41 | ADP | 7.699 | −11.466 | 110.859 | 13.817 | 19.345 | 20.104 | 7 | 3UOW | XMP | −10.921 | 30.878 | 43.840 | 22.647 | 19.535 | 21.819 | 8 | 3LT0 | FT1 | 49.285 | 86.071 | 37.026 | 37.026 | 29.896 | 18.603 | | | NAD | | | | | | | 9 | 3PR3 | F6P | 15.645 | 12.408 | 12.578 | 20.050 | 20.150 | 19.285 | 10 | 4J75 | TYM | 21.709 | 12.607 | −0.525 | 21.240 | 29.604 | 28.658 | 11 | 4Y67 | RC5 | 2.187 | 12.936 | 19.733 | 21.369 | 18.817 | 19.252 | 12 | 3BPF | E64 | −59.109 | −3.131 | −18.321 | 25.043 | 20.228 | 22.512 | 13 | 3BWK | C1P | 5.661 | −23.586 | 50.308 | 24.306 | 22.568 | 19.700 | 14 | 3AU9 | FOM | 11.486 | −15.360 | 16.082 | 20.921 | 16.018 | 18.591 |
|
|