Table 2 Details of top ten protein hits from PharmMapper pharmacophore mapping
S. no. | Protein name | PDB Id | Disease | No. of pharmacophore features | Fitness score |
|---|---|---|---|---|---|
1. | Streptavidin | 1SRE | None | 9 | 6.17 |
2. | Non-specific lipid-transfer protein 1 | 1UVB | None | 7 | 6.105 |
3. | UPF0230 protein TM_1468 | 1VPV | None | 7 | 5.822 |
4. | Aspartate aminotransferase | 1ASG | None | 9 | 5.443 |
5. | GTPase HRas | 5P21 | Defects in HRAS are the cause of costello syndrome, tumor predisposition, congenital myopathy, Hurthle cell thyroid carcinoma, thyroid cancers Bladder cancer; oral squamous cell carcinoma (OSCC) | 15 | 5.424 |
6. | Palmitoyl-protein thioesterase 1 | 1EH5 | None | 6 | 5.421 |
7. | Chorismate synthase | 1QXO | None | 10 | 5.323 |
8. | Tyrosine-protein phosphatase non-receptor type 1 | 1Q6N | None | 7 | 5.263 |
9. | Phospho-N-ethanolamine methyltransferase | 3UJ9 | Malariae infection | 9 | 5.255 |
10. | Beta-lactoglobulin | 1B0O | None | 6 | 5.245 |