Table 6.
Docking binding energies, conventional hydrogen bonding, and the number of closest residues to the docked compounds into the active site of the human progesterone.
No. | Class of Compounds | Free Binding Energy (kcal/mol) | Conventional H-Bonds (HBs) | Number of Closest Residues to the Docked Ligand in the Active Site |
---|---|---|---|---|
1 | Isoprenoid | −7.10 | 8 | 8 |
2 | Octadecanoid | −6.84 | 3 | 4 |
3 | Amino Alcohol | −3.61 | 3 | 4 |
4 | Amino Fatty Acid | −3.69 | 5 | 3 |
5 | Amino Fatty Acid | −4.78 | 4 | 4 |
6 | Isoprenoid | −7.83 | 3 | 7 |
7 | Organic Acid, Phenol | −7.61 | 4 | 8 |
8 | Alkaloid | −8.56 | 0 | 9 |
9 | Flavonoid | −8.46 | 4 | 12 |
10 | Flavonol | −9.48 | 0 | 5 |
11 | Flavonol | −6.41 | 7 | 10 |
12 | Isoprenoid | −7.97 | 3 | 9 |
13 | Amino Sugar | −3.90 | 4 | 9 |
14 | Limonoid | −10.45 | 0 | 10 |
15 | Coumarin Derivative | −8.38 | 1 | 8 |
16 | Iridoid Glycoside | −7.41 | 5 | 10 |
17 | Isoprenoid | −8.07 | 2 | 10 |
18 | - | −9.01 | 2 | 9 |
19 | Terpene | −8.13 | 3 | 8 |
20 | Diterpene triepoxide | −9.28 | 2 | 9 |
21 | Isoflavonoid | −7.70 | 3 | 8 |
22 | Coumarins | −8.78 | 2 | 12 |
23 | Eicosanoid | −6.89 | 2 | 5 |
24 | Steroidal Glycosides | −10.06 | 7 | 12 |
25 | Isoprenoid | −8.63 | 4 | 11 |
26 | IsoFlavonoid | −6.69 | 2 | 8 |
27 | Flavonoid | −7.03 | 2 | 9 |
28 | Limonoid | −10.83 | 2 | 11 |
29 | Glycerolipid | −5.56 | 3 | 2 |