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PMID: 1847215 Published · ppublish English Journal Article Research Support, U.S. Gov't, Non-P.H.S. Research Support, U.S. Gov't, P.H.S.

Human rhinovirus 14 complexed with antiviral compound R 61837.

Journal of molecular biology ·Vol. 217 ·No. 3 ·1991-02-05 ·Pages 455-63

Chapman MS, Minor I, Rossmann MG, Diana GD, Andries K

Abstract

The binding of the antirhinoviral agent R 61837 to human rhinovirus 14 has been examined by X-ray crystallographic methods. The compound R 61837 binds in the same pocket (underneath the canyon floor) as the "WIN" antirhinoviral agents. It does not penetrate as far into the pocket but causes similar conformational changes in the virus capsid. The movement of residues 1217 to 1221 of viral protein 1 (in the "FMDV loop") is more pronounced for R 61837 than for WIN compounds. Although both R 61837 and WIN antiviral agents partially fill the same hydrophobic pocket, atomic binding interactions differ, showing that considerable diversity in the nature of antiviral agents is possible.

MeSH Terms
Antiviral Agents/chemistry Binding Sites Computer Graphics Computer Simulation Crystallography Dimethyl Sulfoxide/chemistry Hydrogen Bonding In Vitro Techniques Models, Molecular Protein Binding Pyridazines/chemistry Rhinovirus/ultrastructure Structure-Activity Relationship Water X-Ray Diffraction
Chemicals
Antiviral Agents Pyridazines Water R 61837 Dimethyl Sulfoxide
Authors & Affiliations
5 authors, click to expand affiliations / ORCID
Chapman M S
Department of Biological Sciences, Purdue University, West Lafayette, IN 47907.
Minor I
Rossmann M G
Diana G D
Andries K
Article Info
Journal
Journal of molecular biology
Abbr.
J Mol Biol
ISSN
0022-2836
Published
1991-02-05
Pages
455-63
Language
English
Region
England
NLM ID
2985088R
Subset
IM
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