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. 2020 Nov 5;9(11):1089. doi: 10.3390/antiox9111089

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