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Table 14 Binding residual interaction of the H1N1 neuraminidase receptor with compound 15

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
3.0716 Carbon hydrogen bond 15 H-Donor A: GLU227 H-Acceptor
2.7803 Carbon hydrogen bond 15 H-Donor A: GLU277 H-Acceptor
2.3958 Carbon hydrogen bond 15 H-Donor A: GLU227 H-Acceptor
2.7646 Carbon hydrogen bond 15 H-Donor A: TRP178 H-Acceptor
2.5774 Carbon hydrogen bond 15 H-Donor A: TRP178 H-Acceptor
1.9756 Hydrogen bond A: ARG118 H-Donor 15 H-Acceptor
2.0478 Hydrogen bond A: ARG118 H-Donor 15 H-Acceptor
2.5643 Hydrogen bond A: ASN294 H-Donor 15 H-Acceptor
1.9466 Hydrogen bond A: ARG371 H-Donor 15 H-Acceptor
3.1851 Other (Sulfur-X) 15 Sulfur A: ASP151 Sulfur
2.0022 Electrostatic; H-bond A: ARG292 Positive; H-Donor 15 Negative; H-Acceptor
1.9585 Electrostatic; H-bond A: ARG371 Positive; H-Donor 15 Negative; H-Acceptor
4.6885 Electrostatic A: ARG118 Positive 15 Negative
4.6762 Electrostatic 15 Positive A: ASP151 Negative
4.4499 Electrostatic 15 Positive A: GLU277 Negative
3.0763 Electrostatic A: ASP151 Negative 15 π-orbital
3.9660 Electrostatic A: GLU277 Negative 15 π-orbital