. 2019 May 16;24:103994. doi: 10.1016/j.dib.2019.103994

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
			GLY 18	HB	2.10
			SER 87	HB	2.36
			SER 57	HB	1.55
3	Thiamine	−9.527	LEU 16	HB	1.82
			LEU 16	HB	1.90
			GLU 54	Salt Bridge	4.99
			GLU 54	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
			ACE 0	HB	1.51
			VAL 3	HB	2.31
			ASP 91	HB	1.55
			ASP 91	HB	1.58
			SER 87	HB	1.76
			GLY 18	HB	2.31
6	Ascorbic acid	−7.7733	SER 57	HB	2.19
			SER 57	HB	1.80
			GLU 54	HB	1.76
			GLU 54	HB	1.65
7	Cyanidin 3-sophoroside-5-glucoside	−5.7144	LEU 76	HB	1.70
			ASP 91	HB	1.62
			ASP 91	HB	1.65
			GLY 18	HB	1.73
			ACE 0	HB	1.92
			ACE 0	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
			ASP 91	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	Methyl 8-oxooctadec-9-ynoate	8.384	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.