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