Table 9.
Summary of docking analysis with MCH1.
| Sr. No. | Ligand | Dock score | Interacting residues | Bond type | Bond angle |
|---|---|---|---|---|---|
| 1 | Quercetin 3,3′ diglucoside | −13.7266 | ASP 91 | HB | 1.96 |
| HB | 1.74 | ||||
| GLY 80 | HB | 1.76 | |||
| GLY 18 | HB | 2.00 | |||
| SER 57 | HB | 1.73 | |||
| 2 | Riboflavin | −12.9742 | GLY 18 | HB | 2.19 |
| HB | 2.10 | ||||
| SER 87 | HB | 2.36 | |||
| SER 57 | HB | 1.55 | |||
| 3 | Thiamine | −9.527 | LEU 16 | HB | 1.82 |
| HB | 1.90 | ||||
| GLU 54 | Salt Bridge | 4.99 | |||
| HB | 1.90 | ||||
| 4 | Quercetin 3,7 diglucoside | −8.7967 | VAL 3 | HB | 2.02 |
| LEU 76 | HB | 1.63 | |||
| ACE 0 | HB | 2.10 | |||
| GLU 80 | HB | 2.24 | |||
| ASP 91 | HB | 2.35 | |||
| 5 | Cyanidine 3, 5′ diglucoside | −8.3388 | LEU 76 | HB | 1.68 |
| ACE 0 | HB | 1.63 | |||
| HB | 1.51 | ||||
| VAL 3 | HB | 2.31 | |||
| ASP 91 | HB | 1.55 | |||
| HB | 1.58 | ||||
| SER 87 | HB | 1.76 | |||
| GLY 18 | HB | 2.31 | |||
| 6 | Ascorbic acid | −7.7733 | SER 57 | HB | 2.19 |
| HB | 1.80 | ||||
| GLU 54 | HB | 1.76 | |||
| HB | 1.65 | ||||
| 7 | Cyanidin 3-sophoroside-5-glucoside | −5.7144 | LEU 76 | HB | 1.70 |
| ASP 91 | HB | 1.62 | |||
| HB | 1.65 | ||||
| GLY 18 | HB | 1.73 | |||
| ACE 0 | HB | 1.92 | |||
| HB | 1.72 | ||||
| 8 | Quercetin 3,4′ diglucoside | −5.236 | GLY 15 | HB | 2.09 |
| VAL 14 | HB | 2.35 | |||
| SER 57 | HB | 1.74 | |||
| SER 87 | HB | 2.20 | |||
| ASP 91 | HB | 1.56 | |||
| HB | 1.42 | ||||
| 9 | Niacin | −5.127 | VAL 3 | HB | 1.84 |
| 10 | Campesterol | −0.843 | GLU 54 | HB | 2.16 |
| 11 | Stigmasterol | −0.787 | GLU 54 | HB | 1.93 |
| 12 | Beta sitosterol | 1.849 | GLU 54 | HB | 2.00 |
| 13 | Beta rosasterol | 2.848 | No interaction | ||
| 14 | 8 nonynoic acid | 3.749 | VAL 3 | HB | 1.84 |
| 15 | 9 Decynoic acid | 4.120 | VAL 3 | HB | 1.84 |
| 16 | Methyl Dec-9-ynoate | 5.030 | VAL 3 | HB | 1.89 |
| 17 | Methyl non-8-ynoate | 5.193 | VAL 3 | HB | 1.89 |
| 18 | (9) Methyl (E)-11-methoxy-9-oxononadec-10-enoate | 8.373 | TRP 61 | HB | 1.75 |
| 19 | Methyl 8-oxooctadec-9-ynoate | 8.384 | SER 2 | HB | 2.03 |
| 20 | VAL 3 | HB | 1.89 | ||
| 21 | Methyl malvalate | 11.003 | VAL 3 | HB | 1.89 |
| 22 | Methyl Sterculate | 11.447 | VAL 3 | HB | 1.89 |
| 23 | Orlistat | 11.712 | Glu 54 | HB | 2.09 |
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.