Table 4 Details of top five proteins hits from PharmMapper pharmacophore mapping
S. no. | Protein name | PDB id | Disease | No. of pharmacophore features | Fitness score |
|---|---|---|---|---|---|
1. | Aspartate aminotransferase | 1ASG | None | 9 | 5.443 |
2. | Palmitoyl-protein thioesterase 1 | 1EH5 | None | 6 | 5.421 |
3. | Chorismate synthase | 1QXO | None | 10 | 5.323 |
4. | GTPase HRas | 2CL7 | Defects in HRAS are the cause of oral squamous cell carcinoma (OSCC), costello syndrome, congenital myopathy, bladder cancer, Hurthle cell thyroid carcinoma, thyroid cancers, tumor redisposition | 15 | 5.424 |
5. | UPF0230 protein TM_1468 | 1VPV | None | 7 | 5.822 |