Table 3.

Molecular docking analysis of phytocompounds from garlic with different forms of EGFR.

S.No.	Inhibitor	1 M17		5HG8		5XGN		4LRM
		delG#	Confs$	delG#	Confs$	delG#	Confs$	delG#	Confs$
1	Methanone	−8.23	89	−8.53	38	−9.45	59	−9.10	65
2	Bis-Phenylethyl	−8.14	61	−7.06	17	−7.7	51	−8.5	44
3	Oxazole	−6.94	33	−7.07	32	−7.25	67	−7.78	45
4	Hexestrol	−7.05	17	−7.7	21	−7.16	28	−6.96	55
5	Dimethylpropyl	−5.24	81	−5.89	93	−5.3	100	−5.34	98
6	Oxaspiro	−5.14	63	−5.49	89	−5.28	100	−5.18	97
7	Butyl-Phenol	−5.07	77	−5.49	84	−4.98	100	−4.93	88
8	Deconoic-Acid	−4.54	23	−5.42	19	−5.22	38	−5.15	19
9	Tricosenyl	−4.22	14	−4.46	12	−4.56	22	−4.16	9
10	Propanamide	−3.94	39	−4.49	70	−4.14	62	−4.11	31
11	Propanoic-Acid	−4.79	30	−5.79	38	−5.77	37	−4.88	35
12	Phenylethyl	−6.55	98	−6.92	57	−5.57	40	−6.9	87

# - Binding energy of the conformation from the largest cluster

$ - number of conformations in the largest cluster of 100 LGA runs.