Table 1. Binding energy and interactions of ligands docked with FTO protein (3LFM).

Compound ID	Compound name	Chemical structure	Binding energy (kcal/mol)	Ligand efficiency (kcal/mol)	Interactions with amino acid residues of 3LFM
					Hydrogen bond interactions	Hydrophobic interaction	Pi interactions
3-methylthymidine (DT)	FTO inhibitor		−6.61	0.37	Arg96, Tyr106, Asn205, Arg322	Thr92, Pro93, Val94, Tyr108, Leu203, Ser229, Asp234, Glu234, Thr320	Val228, His231
BT012	24ε-hydroperoxy-6β-hydroxy-24-ethylcholesta-4,-28(29)-dien-3-one		−9.12	0.30	Thr92, Tyr106, Glu234	Pro93, Tyr108, Leu109, Val228, His231	–
BD064	6β,24ε)-24-Hydroperoxy-6-hydroxystigmasta-4,28-dien-3-one		−8.41	0.36	Pro93, Tyr106, His231, Glu234	Val94, Val228	His231
RL442	10-acetoxyangasiol		−8.01	0.31	Pro93, Lys216, Ser229	Tyr108, Leu109	–
RL074	2-hydroxyluzofuranone B		−7.5	0.35	Pro93, Asp233, Glu234	Val94, Val228	His231