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Table 5 Binding interaction analysis of the active compounds in 5-LOX active site

From: Flavonoids as dual inhibitors of cyclooxygenase-2 (COX-2) and 5-lipoxygenase (5-LOX): molecular docking and in vitro studies

Compound

Hydrogen bond interaction amino acids

Hydrophobic interaction amino acids

Polar interaction amino acids

Zileuton

Two hydrogen bonds between ketone and amide groups with Asn425 and His600, respectively

Phe177, Tyr181, Phe359, Leu368, Leu414, Phe421, Ala603, Val604, Leu607

Gln363, Asn425, His600

NPC6

One hydrogen bond between O atom of O-methyl group with Ala424

Phe177, Tyr181, Phe359, Leu368, Ala410, Leu414, Leu420, Phe421, Ala424, Trp599, Ala603, Val604, Leu607

Gln363, His367, His372, Lys423, Asn425, His600

NPC7

One hydrogen bond between O atom of O-methyl group with Ala424

Phe177, Tyr181, Phe359, Leu368, Ala410, Leu414, Ala424, Leu420, Phe421, Trp599, Ala603, Val604, Leu607

Gln363, His372, Lys423, Asn425, His600