Binding of Venezuelan Equine Encephalitis Virus Inhibitors to Importin-α Receptors Explored with All-Atom Replica Exchange Molecular Dynamics-Reference-Cited by-同舟云学术

Binding of Venezuelan Equine Encephalitis Virus Inhibitors to Importin-α Receptors Explored with All-Atom Replica Exchange Molecular Dynamics

Published:2023-03-31 Issue:14 Volume:127 Page:3175-3186
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Delfing Bryan M.¹,Olson Audrey¹,Laracuente Xavier E.¹,Foreman Kenneth W.²^ORCID,Paige Mikell²,Kehn-Hall Kylene³⁴,Lockhart Christopher¹,Klimov Dmitri K.¹^ORCID

Affiliation:

1. School of Systems Biology, George Mason University, Manassas, Virginia 20110, United States

2. Department of Chemistry and Biochemistry, George Mason University, Manassas, Virginia 20110, United States

3. Department of Biomedical Sciences and Pathobiology, Virginia-Maryland College of Veterinary Medicine, Virginia Polytechnic Institute and State University, Blacksburg, Virginia 24061, United States

4. Center for Emerging, Zoonotic, and Arthropod-borne Pathogens, Virginia Polytechnic Institute and State University, Blacksburg, Virginia 24061, United States

Funder

National Institute of Allergy and Infectious Diseases

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.3c00429

Reference42 articles.

1. Encephalitic alphaviruses

2. Venezuelan Equine Encephalitis Virus Capsid—The Clever Caper

3. Endemic Venezuelan equine encephalitis in the Americas: hidden under the dengue umbrella

4. Venezuelan Equine Encephalitis Virus Capsid Protein Inhibits Nuclear Import in Mammalian but Not in Mosquito Cells

5. Venezuelan Equine Encephalitis Virus Capsid Protein Forms a Tetrameric Complex with CRM1 and Importin α/β That Obstructs Nuclear Pore Complex Function

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1. Competitive Binding of Viral Nuclear Localization Signal Peptide and Inhibitor Ligands to Importin-α Nuclear Transport Protein;Journal of Chemical Information and Modeling;2024-06-13

2. Can Free Energy Perturbation Simulations Coupled with Replica-Exchange Molecular Dynamics Study Ligands with Distributed Binding Sites?;Journal of Chemical Information and Modeling;2023-08-02