Table 2.

AutoDock docking results of marine bioactive compounds (fucoidan and alginate) with inflammatory proteins.

Protein	PDB ID	Ligand	Binding Energy (Kcal/mol)	Inhibition Constant (Ki)	Interacting Residues
L-selectin	5VC1	Fucoidan	−5.82	54.41 µM	Lys84(1.9Å), Glu88(1.9Å), Tyr94(2.6Å), Asn105 (2.0Å), Lys111(2.0Å),
		Alginate	−4.3	704.72 µM	Lys55(2.2 Å), Trp60(2.6Å), Glu88(1.9 Å),
E-selectin	1G1T	Fucoidan	−5.69	67.62 µM	Lys55(2.0Å), Asn58(2.1Å), Asn83(2.7Å), Arg84(2.6Å), Asp106(2.1Å)
		Alginate	−4.09	997.16 µM	Asn58(1.9 Å), Trp60(2.0 Å), Lys74(1.9Å), Trp76(1.8 Å)
MCP-1	1DOK	Fucoidan	−5.67	69.96 µM	Cys11(1.8 Å), Tyr13(2.1 Å), Asn14(2.0Å), Cys52(1.9 Å)
		Alginate	−3.84	1.52 mM	Asn14(2.0 Å), Glu50(2.1Å), Cys52(1.7Å)
ICAM-1	1IAM	Fucoidan	−5.66	70.39 µM	Leu33(1.7Å), Lys39(2.4Å), Glu41(1.8Å), Lys50(1.8Å), Tyr52(1.9Å), Tyr66(2.1Å)
		Alginate	−4.98	224.33 µM	Leu33(1.9Å), Lys39(1.9Å), Glu41(2.3 Å), Lys50(2.5Å), Tyr52(2.1Å), Tyr66(2.2Å)