Table 4.

Molecular docking analysis of phytocompounds with drug targets for dual inhibition against NSCLC.

S.No.	Inhibitor	ALK		HER2		SPLA-IIA
		delG#	Confs$	delG#	Confs$	delG#	Confs$
1	Methanone	−7.73	33	−9.65	98	−10.18	100
2	Bis-Phenylethyl	−7.37	28	−9.89	46	−9.84	48
3	Oxazole	−6.72	27	−7.92	59	−9.59	55
4	Hexestrol	−5.86	29	−7.42	22	−7.19	72
5	Dimethylpropyl	−5.94	67	−6.44	81	−5.79	100
6	Oxaspiro	−5.61	97	−5.88	75	−5.86	100
7	Butyl-Phenol	−5.55	73	−6.02	94	−5.48	100
8	Deconoic-Acid	−5.02	39	−6.13	28	−5.97	26
9	Tricosenyl	−3.67	10	−7.43	11	−6.21	25
10	Propanamide	−3.89	29	−3.7	45	−3.79	59
11	Propanoic-Acid	−6.74	94	−5.74	85	−6.48	93
12	Phenylethyl	−7.33	41	−7.89	91	−7.2	99

# - Binding energy of the conformation from the largest cluster

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