Table 3.

Docking score of highly enriched pathway targets of inflammation with key bioactives, standard medicines and theirs co-crystallized ligands.

Gene	PDB ID	Bioactives	Docking Score Kcal/mol
TLR4	3UL7	N-(3-chlorophenyl)naphthylcarboxamide	−4.027
		Aspirin *	−4.178
		Indomethacin *	−4.168
		2-acetamido−2-deoxy-beta-d-glucopyranose	−4.797
EGFR	5WB7	N-(3-chlorophenyl)naphthylcarboxamide	−4.123
		Aspirin *	−4.182
		Indomethacin *	−4.707
		2-acetamido-2-deoxy-beta-d-glucopyranose	−4.205
FLT1	3HNG	N-(3-chlorophenyl)naphthylcarboxamide	−8.88
		Aspirin *	−6.794
		Indomethacin *	−5.538
		N-(4-chlorophenyl)-2-[(pyridin-4-ylmethyl)amino]benzamide	−11.044
NOS3	1M9J	N-(3-chlorophenyl)naphthylcarboxamide	−7.236
		Aspirin *	−5.262
		Indomethacin *	−7.451
		Chlorzoxazone	−6.118
NOS2	1NSI	N-(3-chlorophenyl)naphthylcarboxamide	−8.85
		Aspirin *	−6.467
		Indomethacin *	−7.491
		Protoporphyrin Ix Containing Fe	−14.755

Notes: * denotes standard medicine.