Table 6.
Summary of docking analysis with leptin (PDB ID 1AX8).
| Sr. No. | Ligand | Dock Score | Interacting residues | Bond Type | Bond distance |
|---|---|---|---|---|---|
| 1 | Riboflavin | −18.4869 | GLN 134 | HB | 2.22 |
| HB | 1.91 | ||||
| GLN 130 | HB | 2.12 | |||
| HB | 1.72 | ||||
| ASP 40 | HB | 2.08 | |||
| HB | 1.58 | ||||
| Ar HB | 2.21 | ||||
| ILE 21 | HB | 1.80 | |||
| 2 | Cyanidine 3, 5 diglucoside | −13.4683 | ASP 40 | HB | 1.49 |
| HB | 2.40 | ||||
| HB | 1.75 | ||||
| HB | 1.68 | ||||
| GLN 130 | HB | 1.87 | |||
| HB | 1.83 | ||||
| GLN 134 | HB | 2.41 | |||
| ILE 21 | HB | 1.86 | |||
| HB | 1.53 | ||||
| 3 | Thiamine | −11.3807 | GLN 134 | HB | 2.21 |
| ASP 40 | HB | 2.15 | |||
| ILE 42 | HB | 1.84 | |||
| 4 | Ascorbic acid | −11.1364 | GLY 44 | HB | 1.94 |
| GLN 134 | HB | 1.98 | |||
| HB | 2.20 | ||||
| 5 | Quercetin 3,4′ diglucoside | −10.9657 | GLY 44 | HB | 2.57 |
| HB | 2.27 | ||||
| ASP 135 | HB | 2.15 | |||
| GLN 130 | HB | 1.90 | |||
| ASP 40 | HB | 2.05 | |||
| LEU 39 | HB | 1.84 | |||
| HB | 1.92 | ||||
| 6 | Quercetin 3,3′ diglucoside | −10.3108 | ASP 40 | HB | 2.29 |
| SER 127 | HB | 1.60 | |||
| 7 | Quercetin 3,7 diglucoside | −10.2723 | PHE 41 | Pi-Pi Stacking | 5.04 |
| GLN 130 | HB | 1.97 | |||
| ASP 40 | HB | 2.07 | |||
| GLY 131 | HB | 1.56 | |||
| GLY 44 | HB | 1.64 | |||
| ASP 135 | HB | 1.56 | |||
| 8 | Niacin | −9.3776 | ASP 40 | HB | 1.84 |
| 9 | Beta rosasterol | −6.3064 | GLY 44 | HB | 1.82 |
| 10 | Cyanidin 3-sophoroside-5-glucoside | −5.2426 | GLN 134 | HB | 1.84 |
| ASP 135 | HB | 2.07 | |||
| HB | 2.54 | ||||
| LEU 39 | HB | 1.84 | |||
| GLN 130 | HB | 1.99 | |||
| PHE 41 | HB | 1.84 | |||
| HB | 1.91 | ||||
| 11 | Campesterol | −3.5982 | No interaction | ||
| 12 | Stigmasterol | −2.8915 | ASP 135 | HB | 2.22 |
| GLY 44 | HB | 2.40 | |||
| 13 | 8 nonynoic acid | 0.1127 | OHE 41 | HB | 2.01 |
| 14 | Beta sitosterol | 0.4685 | ASP 135 | HB | 1.97 |
| GLY 44 | HB | 2.48 | |||
| 15 | 9 Decynoic acid | 1.1976 | ASP 40 | HB | 1.88 |
| PHE 41 | HB | 1.86 | |||
| 16 | Methyl non-8-ynoate | 2.0473 | PHE 41 | HB | 1.89 |
| 17 | Methyl Dec-9-ynoate | 2.8153 | PHE 41 | HB | 1.95 |
| 18 | Methyl 8-oxooctadec-9-ynoate | 5.4298 | PHE 41 | HB | 1.87 |
| 19 | (9) Methyl (E)-11-methoxy-9-oxononadec-10-enoate | 6.5759 | PHE 41 | HB | 1.83 |
| 20 | Methyl Sterculate | 6.9274 | PHE 41 | HB | 1.87 |
| 21 | Methyl malvalate | 8.0895 | PHE 41 | HB | 1.87 |
| 22 | Orlistat | 8.3009 | ASP 40 | HB | 1.71 |
| GLU 134 | HB | 1.80 | |||
| GLY 44 | HB | 1.99 | |||
Orlistat, as only standard drug used in market is used as standard reference for docking studies. Hence the docking result of orlistat in all tables is bold for ease of comparison.