Atomistic dynamics of a viral infection process: Release of membrane lytic peptides from a non-enveloped virus.
Journal
Science advances
ISSN: 2375-2548
Titre abrégé: Sci Adv
Pays: United States
ID NLM: 101653440
Informations de publication
Date de publication:
04 2021
04 2021
Historique:
received:
06
08
2020
accepted:
23
02
2021
entrez:
15
4
2021
pubmed:
16
4
2021
medline:
19
4
2022
Statut:
epublish
Résumé
Molecular simulations have played an instrumental role in uncovering the structural dynamics and physical properties of virus capsids. In this work, we move beyond equilibrium physicochemical characterization of a virus system to study a stage of the infection process that is required for viral proliferation. Despite many biochemical and functional studies, the molecular mechanism of host cell entry by non-enveloped viruses remains largely unresolved. Flock House virus (FHV) is a model system for non-enveloped viruses and is the subject of the current study. FHV infects through the acid-dependent endocytic pathway, where low pH triggers externalization of membrane-disrupting (γ) peptides from the capsid interior. Using all-atom equilibrium and enhanced sampling simulations, the mechanism and energetics of γ peptide liberation and the effect of pH on this process are investigated. Our computations agree with experimental findings and reveal nanoscopic details regarding the pH control mechanism, which are not readily accessible in experiments.
Identifiants
pubmed: 33853772
pii: 7/16/eabe1761
doi: 10.1126/sciadv.abe1761
pmc: PMC8046363
pii:
doi:
Substances chimiques
Peptides
0
Types de publication
Journal Article
Research Support, N.I.H., Extramural
Research Support, Non-U.S. Gov't
Langues
eng
Sous-ensembles de citation
IM
Subventions
Organisme : NIGMS NIH HHS
ID : R35 GM119762
Pays : United States
Informations de copyright
Copyright © 2021 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works. Distributed under a Creative Commons Attribution NonCommercial License 4.0 (CC BY-NC).
Références
J Biol Chem. 2009 May 15;284(20):13285-9
pubmed: 19164280
J Phys Chem Lett. 2017 Feb 16;8(4):779-784
pubmed: 28129688
PLoS Comput Biol. 2012;8(5):e1002502
pubmed: 22589708
J Chem Theory Comput. 2011 Sep 13;7(9):2728-2739
pubmed: 22125476
J Virol. 1988 Sep;62(9):3399-406
pubmed: 3404580
J Chem Theory Comput. 2016 Apr 12;12(4):1799-805
pubmed: 26771390
Structure. 1994 Apr 15;2(4):271-82
pubmed: 8087554
J Virol. 2000 Dec;74(24):11724-33
pubmed: 11090172
Biochim Biophys Acta Biomembr. 2017 Jul;1859(7):1190-1199
pubmed: 28395954
Curr Opin Virol. 2020 Dec;45:8-16
pubmed: 32615360
J Chem Phys. 2014 Oct 28;141(16):165101
pubmed: 25362342
Nano Lett. 2011 Nov 9;11(11):4865-9
pubmed: 21967663
Annu Rev Biophys. 2012;41:429-52
pubmed: 22577825
Int J Mol Sci. 2019 Nov 27;20(23):
pubmed: 31783519
Annu Rev Cell Dev Biol. 2007;23:23-43
pubmed: 17456018
J Virol. 1998 Nov;72(11):8738-46
pubmed: 9765417
Proc Natl Acad Sci U S A. 2020 Feb 18;117(7):3583-3591
pubmed: 32015120
Curr Protein Pept Sci. 2008 Feb;9(1):16-27
pubmed: 18336320
Elife. 2013 Jun 14;2:e00632
pubmed: 23795290
Biophys Rev. 2019 Aug;11(4):603-609
pubmed: 31342264
Phys Rev E Stat Nonlin Soft Matter Phys. 2012 Nov;86(5 Pt 1):051917
pubmed: 23214824
Proc Natl Acad Sci U S A. 2015 Feb 17;112(7):2034-9
pubmed: 25646410
Structure. 2009 Oct 14;17(10):1295-306
pubmed: 19836330
J Phys Chem Lett. 2018 Sep 20;9(18):5440-5444
pubmed: 30188715
Phys Rev A Gen Phys. 1985 Mar;31(3):1695-1697
pubmed: 9895674
J Chem Theory Comput. 2011 Aug 9;7(8):2617-29
pubmed: 26606635
Nature. 1993 Jan 14;361(6408):176-9
pubmed: 8421524
Biochim Biophys Acta Biomembr. 2020 Feb 1;1862(2):183102
pubmed: 31678020
Neuron. 2018 Sep 19;99(6):1129-1143
pubmed: 30236283
J Virol. 2009 Sep;83(17):8628-37
pubmed: 19553341
Biophys J. 2012 Jun 6;102(11):2615-24
pubmed: 22713577
Bioinformatics. 2006 Nov 1;22(21):2695-6
pubmed: 16940322
J Biol Chem. 2006 Sep 29;281(39):29278-86
pubmed: 16861222
J Biol Phys. 2018 Jun;44(2):195-209
pubmed: 29644513
J Struct Biol. 2003 Aug;143(2):107-17
pubmed: 12972347
Curr Top Microbiol Immunol. 2010;343:1-22
pubmed: 20407886
J Mol Biol. 2005 Jan 14;345(2):299-314
pubmed: 15571723
Proc Natl Acad Sci U S A. 2010 Aug 10;107(32):14111-5
pubmed: 20660783
J Virol. 2009 Jul;83(13):6929-33
pubmed: 19369344
J Am Chem Soc. 2019 Sep 25;141(38):15092-15101
pubmed: 31476863
Proc Natl Acad Sci U S A. 2013 Nov 19;110(47):18916-21
pubmed: 24191018
Nat Struct Mol Biol. 2008 Jul;15(7):690-8
pubmed: 18596815
J Mol Biol. 2016 Aug 28;428(17):3540-56
pubmed: 27320388
Phys Biol. 2010 Dec 09;7(4):045003
pubmed: 21149971
Biophys J. 2008 Oct;95(8):3575-90
pubmed: 18621828
Curr Opin Virol. 2011 Jul;1(1):44-9
pubmed: 21804909
J Virol. 2013 Apr;87(7):3903-14
pubmed: 23365424
J Virol. 2019 Oct 29;93(22):
pubmed: 31484752
FEBS Lett. 2007 May 22;581(11):2150-5
pubmed: 17320081
J Am Chem Soc. 2014 Feb 26;136(8):3097-107
pubmed: 24495192
J Comput Chem. 2004 Dec;25(16):2038-48
pubmed: 15481090
J Biol Chem. 1998 Jan 9;273(2):673-6
pubmed: 9422714
Trends Microbiol. 2018 Jun;26(6):525-537
pubmed: 29079499
J Virol. 1992 Nov;66(11):6728-34
pubmed: 1404613
Nucleic Acids Res. 2012 Jul;40(Web Server issue):W537-41
pubmed: 22570416
J Phys Chem B. 2015 Apr 2;119(13):4601-7
pubmed: 25734901
J Chem Theory Comput. 2012 Sep 11;8(9):3257-3273
pubmed: 23341755
Biophys J. 2012 Feb 8;102(3):606-12
pubmed: 22325284
Nat Commun. 2017 Jul 19;8:15959
pubmed: 28722007
J Am Chem Soc. 2009 Feb 25;131(7):2606-14
pubmed: 19199626
Proc Natl Acad Sci U S A. 2006 Apr 18;103(16):6184-9
pubmed: 16606825
Biophys J. 2012 Oct 17;103(8):1774-83
pubmed: 23083721
Proc Natl Acad Sci U S A. 1990 Jan;87(1):434-8
pubmed: 2296598
Elife. 2018 Apr 27;7:
pubmed: 29708495
J Biol Chem. 1994 May 6;269(18):13680-4
pubmed: 8175803
Cell. 2019 Nov 14;179(5):1098-1111.e23
pubmed: 31730852
Biophys J. 2005 Jul;89(1):141-57
pubmed: 15863480
Front Bioeng Biotechnol. 2015 Jul 30;3:103
pubmed: 26284238
J Virol. 2012 Sep;86(18):9976-82
pubmed: 22761380
Chem Biol. 1999 Jul;6(7):473-81
pubmed: 10381406
Biophys J. 2000 Feb;78(2):839-45
pubmed: 10653796
Proteins. 2006 Mar 1;62(4):1053-61
pubmed: 16355416
Nano Lett. 2008 Dec;8(12):4574-81
pubmed: 19367856