Literature summary for 3.2.1.18 extracted from

Garcia-Sosa, A.T.; Sild, S.; Maran, U.
Design of multi-binding-site inhibitors, ligand efficiency, and consensus screening of avian influenza H5N1 wild-type neuraminidase and of the oseltamivir-resistant H274Y variant (2008), J. Chem. Inf. Model., 48, 2074-2080.

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Application

Application	Comment	Organism
analysis	virtual screening method for inhibitors based on consensus scoring and ligand efficiency indices, which allows the combination of pharmacodynamic and pharmacokinetic properties into unique measures	influenza A virus

Protein Variants

Protein Variants	Comment	Organism
H274Y	mutant resistant to oseltamivir, used for design of multi-binding-site inhibitors	influenza A virus

Inhibitors

Inhibitors	Comment	Organism	Structure
2-deoxy-2,3-dehydro-N-acetylneuraminic acid	-	influenza A virus
additional information	construction of homologous and heterologous dimers and trimers and trimers of inhibitors such as oseltamivir(R)-CH2-(R)oseltamivir, oseltamivir(R)-O-zanamivir, oseltamivir(R)-CH2-2-deoxy-2,3-dehydro-N-acetylneuraminic acid and calculation of molecular properties and ligand efficiency values	influenza A virus
oseltamivir	-	influenza A virus
peramivir	-	influenza A virus
zanamivir	-	influenza A virus

Organism

Organism	UniProt	Comment	Textmining
influenza A virus	-	avain virus type H5N1	-

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Release 2023.1 (January 2023)