In Silico Screening of Synthetic and Natural Compounds to Inhibit the Binding Capacity of Heavy Metal Compounds against EGFR Protein of Lung Cancer

Table 6

Docking results of the controls, natural, and synthetic compounds with EGFR protein.

S.#	Name/formula/ZINC-ID	Structure	SV values	RMSD
Controls
1	Erlotinib (C22H23N3O4)			1.87
2	Gefitinib (C22H24ClFN4O3)			1.19
3	Afatinib (C24H25ClFN5O3)			1.23
4	Native cocrystallized ligand			1.42
Natural compounds
1	ZINC03779067 (berberine chloride-C20H22ClNO6)			1.05
2	ZINC12353732 (trans-resveratrol-C14H12O3)			1.60
3	ZINC03872446 (ellagic acid-C14H6O8)			0.80
Synthetic compounds
1	ZINC00602803			1.30
2	ZINC00602685			1.08
3	ZINC06718468			1.59
4	ZINC01546066			1.60
5	ZINC13743457			0.59

SV: scoring values (kcal/mol); RMSD values: root means square deviation (Å); SD value: standard deviation value.