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The molecular docking analysis of the top five ZINC compounds obtained after virtual screening using pharmacophore.
| ZINC database ID | Glide XP score | Interacting residues (hydrogen bond) |
|---|---|---|
| ZINC38200481 | −10.775 | Arg260 (2), Gln358 (1), Arg413 (3) |
| ZINC01576107 | −10.775 | Arg260 (2), Gln358 (1), Arg413 (3) |
| ZINC02384806 | −10.729 | Arg260 (1), Gln358 (1), Arg413 (2) |
| ZINC38570006 | −9.702 | Arg260 (2), Gln358 (1), Ser411(1), Arg413 (4) |
| ZINC38569951 | −9.423 | Arg260 (2), Gln358 (1), Ser411(1), Arg413 (4) |
