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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