Analysis of inhibitor binding in influenza virus neuraminidase

Protein Science

Volumn 10, Issue 4, 2001, Pages 689-696

  Smith, Brian J ^a   Colman, Peter M ^a   Von Itzstein, Mark ^b   Danylec, Basil ^b   Varghese, Joseph N ^a  

^a CSIRO   (Australia)

^b MONASH UNIVERSITY   (Australia)

Author keywords

Binding energies; Electrostatics; Influenza virus; Molecular modeling; Neuraminidase inhibitors; X ray crystal structures

Indexed keywords

HYDROXYL GROUP; N ACETYL 2,3 DIDEHYDRO 2 DEOXYNEURAMINIC ACID; NEURAMINIC ACID DERIVATIVE; SIALIDASE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL INTERACTION; ELECTRICITY; ENERGY; ENTHALPY; ENZYME ACTIVE SITE; ENZYME BINDING; INFLUENZA VIRUS; LIGAND BINDING; MOLECULAR MODEL; NONHUMAN; PRIORITY JOURNAL;

ANTIVIRAL AGENTS; BINDING SITES; CRYSTALLOGRAPHY, X-RAY; ELECTROSTATICS; ENZYME INHIBITORS; MODELS, MOLECULAR; N-ACETYLNEURAMINIC ACID; NEURAMINIDASE; NUMERICAL ANALYSIS, COMPUTER-ASSISTED; ORTHOMYXOVIRIDAE; SIALIC ACIDS; SOLVENTS;

INFLUENZA VIRUS;

EID: 0035083950     PISSN: 09618368     EISSN: None     Source Type: Journal    
DOI: 10.1110/ps.41801     Document Type: Article

References (52)

1. Potent inhibition of influenza sialidase by a benzoic acid containing a 2-pyrrolidinone substituent
2. Synthesis of 6-, 7- and 8-carbon sugar analogues of potent anti-influenza 2,3-didehydro-2,3-dideoxy-N-acetylneuraminic acid derivatives
3. Generation and characterization of an influenza virus neuraminidase variant with decreased sensitivity to the neuraminidase-specific inhibitor 4-guanidino-Neu5Ac
4. Determining atom-centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis
5. Influenza B can synthesize its own inhibitor
6. Synthesis of the potent influenza neuraminidase inhibitor 4-gaunidino Neu5Ac2en. X-ray molecular structure of 5-acetamido-4-amino-2,6-anhydro-3,4,5-trideoxy-D-erythro-L-gluconononic acid
7. Influenza virus neuraminidase - Enzyme and antigen
8. Zanamivir: A review of its use in influenza
9. Accurate bond and angle parameters for X-ray protein-structure refinement
10. Zanamivir: A review of clinical safety
11. Calculation of the total electrostatic energy of a macromolecular system: Solvation energies, binding energies, and conformational analysis
12. Inhibition of sialidases from viral, bacterial and mammalian sources by analogues of 2-deoxy-2,3-didehydro-N-acetylneuraminic acid modified at the C-4 position
13. i, calculations for neuraminidase aromatic inhibitors designed on the basis of the active site structure of influenza virus neuraminidase
14. Structures of aromatic inhibitors of influenza virus neuraminidase
15. Improved methods for the building of protein models in electron density maps and the location of errors in these models
16. Neuraminidase inhibitors as anti-influenza virus agents
17. Influenza neuraminidase inhibitors possessing a novel hydrophobic interaction in the enzyme active site: Design, synthesis, and structural analysis of carbocyclic sialic acid analogues with potent anti-influenza activity
18. Structure-activity relationship studies of novel carbocyclic influenza neuraminidase inhibitors
19. MOLSCRIPT: A program to produce both detailed and schematic plots of protein structures
20. Influenza virus neuraminidase with haemagglutinin activity
21. CONSCRIPT: A program for generating electron density isosurfaces for presentation in protein crystallography
22. Influenza type A virus neuraminidase does not play a role in viral entry, replication, assembly or budding
23. Resistance of influenza viruses to neuraminidase inhibitors - A review
24. A new method for the purification of influenza A virus
25. Raster3D: Photorealistic molecular graphics
26. A rapid finite difference algorithm utilising successive over-relaxation to solve the Poisson-Boltzmann equation
27. Oscillation data reduction program
28. Effectiveness and role of zanamivir in the treatment of influenza infection
29. Structure-based inhibitors of influenza virus sialidase. A benzoic acid lead with novel interaction
30. A conformational study of 2-oxanol: Insight into the role of ring distortion on enzyme-catalyzed glycosidic bond cleavage
31. Solvation parameters for amino acids
32. Atomic radii: Incorporation of solvation effects
33. Dihydropyrancarboxamides related to zanamivir; A new series of inhibitors of influenza virus sialidases. 1. Discovery, synthesis, biological activity, and structure-activity relationships of 4-guanidino- and 4-amino-4H-pyran-6-carboxamides
34. Synthesis and influenza virus sialidiase inhibitory activity of analogues 4-gaunidino-Neu5Ac2en (GG167) with modified 5-substituents
35. Synthesis and influenza virus sialidase inhibitory activity of the 5-desacetamido analogue of 2,3-didehydro-2,4-dideoxy-4-gaunidinyl-N-acetylneuraminic acid (GG167)
36. Guanidino-benzoic acid inhibitors of influenza virus neuraminidase
37. Inhibition of sialidase
38. Molecular Modeling studies on ligand binding to sialidase from influenza virus and the mechanism of catalysis
39. A structural and energetics analysis of the binding of a series of N-acetylneuraminic-acid-based inhibitors to influenza virus sialidase
40. Dihydropyrancarboxamides related to zanamivir: A new series of inhibitors of influenza virus sialidases. 2. Crystallographic and molecular modeling study of complexes of 4-amino-4H-pyran-6-carboxamides and sialidase from influenza virus types A and B
41. Development of neuraminidase inhibitors as anti-influenza virus drugs
42. Three-dimensional structure of the complex of 4-guanidino-Neu5Ac2en and influenza virus neuraminidase
43. The structure of the complex between influenza virus neuraminidase and sialic acid, the viral receptor
44. Drug design against a shifting target: A structural basis for resistance to inhibitors in a variant of influenza virus neuraminidase
45. The synthesis of 2,3-didehydro-2,4-dideoxy-4-guanidinyl-N-acetylneuraminic acid - A potent influenza virus sialidase inhibitor
46. Rational design of potent sialidase-based inhibitors of influenza virus replication
47. Carbocyclic analogues of N-acetyl-2,3-didehydro-2-deoxy-D-neuraminic acid (Neu5Ac2en, DANA): Synthesis and inhibition of viral and bacterial neuraminidases
48. 'Flu' and structure-based drug design