Table 2.
Generation of different pharmacophore models and their corresponding features.
| Model No. | Features * | Rank | Direct Hit | Partial Hit | Max Fit |
|---|---|---|---|---|---|
| 01 | 2HA,HYP,HBD | 31.233 | 1111 | 0000 | 4 |
| 02 | HA,HYP,HBD,RA | 30.714 | 1111 | 0000 | 4 |
| 03 | HA,HYP,HBD,RA | 30.629 | 1111 | 0000 | 4 |
| 04 | HA,2HYP,HBD | 28.033 | 1111 | 0000 | 4 |
| 05 | HA,2HYP,HBD | 28.033 | 1111 | 0000 | 4 |
| 06 | 2HA,HBD | 27.918 | 1111 | 0000 | 3 |
| 07 | 2HYP,HBD,RA | 27.514 | 1111 | 0000 | 4 |
| 08 | HA,HBD,RA | 27.470 | 1111 | 0000 | 3 |
| 09 | HA,HBD,RA | 27.438 | 1111 | 0000 | 3 |
| 10 | 2HYP,HBD,RA | 27.429 | 1111 | 0000 | 4 |
* Hydrogen bond acceptor (HBA), hydrogen bond donor (HBD), hydrophobic (HYP), hydrophobic aromatic (HA) and ring aromatic (RA).