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May 17, 2005Proceedings of the National Academy of Sciences

Dissociation of an antiviral compound from the internal pocket of human rhinovirus 14 capsid

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Population

Human rhinovirus 14 capsid (computational model)

Design

Preclinical

Authors

YLYumin LiNorthwestern UniversityZZZhigang ZhouHuzhou UniversityCPCarol Beth PostPurdue University West Lafayette

Discussion

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Implication

No immediate clinical implications; leaves open whether these dynamics inform broader antiviral design.

Structured PICO

P
Population
Human rhinovirus 14 capsid (computational model)
I
Intervention
WIN 52084 (antiviral compound) dissociation simulation using adiabatic, biased molecular dynamics
O
Outcome
Dissociation pathway and structural changes of the viral protein capsidsurrogate

Molecular dynamics simulations reveal that the dissociation of WIN 52084 from human rhinovirus 14 involves specific structural flexibility and conformational changes in viral proteins, which may inform the mechanism of virion uncoating inhibition.

Cite This Study

Li et al. (2005) studied this question.

synapsesocial.com/papers/6a8ff569ebb21526730d2b32https://doi.org/10.1073/pnas.0408749102
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Also Consider

Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context:

  1. 1Poliovirus neutralization by antibodies to internal epitopes of VP4 and VP1 results from reversible exposure of these sequences at physiological temperature1994 · 228 citations
  2. 2Molecular dynamics investigation of the effect of an antiviral compound on human rhinovirus1999 · 22 citations
  3. 3Kinetic Analysis of the Effect of Poliovirus Receptor on Viral Uncoating: the Receptor as a Catalyst2001 · 82 citations
  4. 4Prevention of rhinovirus and poliovirus uncoating by WIN 51711, a new antiviral drug1986 · 181 citations
  5. 5Cryoelectron Microscopy Analysis of the Structural Changes Associated with Human Rhinovirus Type 14 Uncoating2004 · 63 citations