Skip to main content

Table 13 Binding interaction of the H1N1 neuraminidase receptor with compound 4

From: Computational modelling studies of some 1,3-thiazine derivatives as anti-influenza inhibitors targeting H1N1 neuraminidase via 2D-QSAR, 3D-QSAR, molecular docking, and ADMET predictions

Bond (Å) Interaction type From Chemistry To Chemistry
2.9723 Hydrogen Bond A: ARG371 H-Donor 4 H-Acceptor
2.7175 Hydrogen Bond A: ARG371 H-Donor 4 H-Acceptor
2.6552 Hydrogen Bond A: ARG371 H-Donor 4 H-Acceptor
2.9575 Hydrogen Bond 4 H-Donor A: ASN347 H-Acceptor
2.5011 Carbon Hydrogen Bond 4 H-Donor A: ASN347 H-Acceptor
2.4892 Carbon Hydrogen Bond 4 H-Donor A: GLU277 H-Acceptor
2.6665 Carbon Hydrogen Bond 4 H-Donor 4 H-Acceptor
2.5644 Carbon Hydrogen Bond 4 H-Donor A: GLU276 H-Acceptor
2.6332 Carbon Hydrogen Bond 4 H-Donor A: GLU119 H-Acceptor
5.1658 Hydrophobic(π-alkyl) A: TYR406 π-orbital 4 Alkyl
5.3130 Hydrophobic(π-alkyl) 4 π-orbital A: ILE222 Alkyl