Modeling and Simulation of Bacterial Outer Membranes with Lipopolysaccharides and Capsular Polysaccharides.

Lipopolysaccharides / chemistry Cell Membrane / metabolism Bacterial Outer Membrane Bacterial Outer Membrane Proteins / analysis Lipid A / metabolism Escherichia coli / metabolism

Journal

Journal of chemical information and modeling
ISSN: 1549-960X
Titre abrégé: J Chem Inf Model
Pays: United States
ID NLM: 101230060

Informations de publication

Date de publication:
13 03 2023
Historique:
pubmed: 22 2 2023
medline: 15 3 2023
entrez: 21 2 2023
Statut: ppublish

Résumé

Capsule is one of the common virulence factors in Gram-negative bacteria protecting pathogens from host defenses and consists of long-chain capsular polysaccharides (CPS) anchored in the outer membrane (OM). Elucidating structural properties of CPS is important to understand its biological functions as well as the OM properties. However, the outer leaflet of the OM in current simulation studies is represented exclusively by LPS due to the complexity and diversity of CPS. In this work, representative

Identifiants

DOI: 10.1021/acs.jcim.3c00072 PMID: 36802606 PMC: PMC10249353
pubmed: 36802606
doi: 10.1021/acs.jcim.3c00072
pmc: PMC10249353
doi:

Substances chimiques

Lipopolysaccharides 0
Bacterial Outer Membrane Proteins 0
Lipid A 0

Types de publication

Journal Article Research Support, Non-U.S. Gov't Research Support, U.S. Gov't, Non-P.H.S.

Langues

eng

Sous-ensembles de citation

IM

Pagination

1592-1601

Références

J Phys Chem B. 2009 Sep 17;113(37):12466-76
pubmed: 19694450
Langmuir. 2019 Apr 23;35(16):5635-5646
pubmed: 30916568
PLoS One. 2007 Sep 12;2(9):e880
pubmed: 17849009
J Phys Chem B. 2015 Nov 19;119(46):14668-82
pubmed: 26374325
Curr Top Microbiol Immunol. 2012;361:1-22
pubmed: 22643916
Carbohydr Res. 1995 Apr 19;269(2):295-302
pubmed: 7780994
Biochemistry. 1964 Feb;3:247-51
pubmed: 14163947
Phys Chem Chem Phys. 2016 Jul 28;18(28):18776-94
pubmed: 27346493
J Biol Chem. 2012 Oct 12;287(42):35078-35091
pubmed: 22875852
Carbohydr Res. 1985 Dec 15;145(1):59-66
pubmed: 3912042
J Chem Theory Comput. 2019 Jan 8;15(1):775-786
pubmed: 30525595
Biochim Biophys Acta Biomembr. 2018 Dec;1860(12):2566-2575
pubmed: 30278180
Front Mol Biosci. 2021 Nov 15;8:727847
pubmed: 34869580
PLoS One. 2010 Jul 19;5(7):e11642
pubmed: 20657847
Annu Rev Phys Chem. 2020 Apr 20;71:171-188
pubmed: 32070216
Glycobiology. 2019 Aug 20;29(9):620-624
pubmed: 31184695
J Comput Chem. 2008 Nov 30;29(15):2543-64
pubmed: 18470966
Biochemistry. 2017 Jul 25;56(29):3826-3839
pubmed: 28609625
J Bacteriol. 1980 Feb;141(2):971-2
pubmed: 6988393
J Bacteriol. 1975 Nov;124(2):942-58
pubmed: 1102538
Biophys J. 2013 Sep 17;105(6):1444-55
pubmed: 24047996
J Clin Microbiol. 2011 Nov;49(11):3728-32
pubmed: 21900515
J Chem Theory Comput. 2016 Jan 12;12(1):405-13
pubmed: 26631602
Proc Natl Acad Sci U S A. 2013 May 7;110(19):7868-73
pubmed: 23610430
J Chem Theory Comput. 2009 Aug 20;5(9):2353-2370
pubmed: 20161005
J Phys Chem B. 2018 Aug 30;122(34):8185-8192
pubmed: 30075620
J Phys Chem B. 2013 Nov 27;117(47):14709-22
pubmed: 24175957
Eur J Biochem. 1976 Aug 1;67(1):53-6
pubmed: 786626
Biochemistry. 1976 Jun 15;15(12):2561-70
pubmed: 820368
Microbiol Mol Biol Rev. 2009 Mar;73(1):155-77
pubmed: 19258536
J Am Chem Soc. 2021 Jun 16;143(23):8935-8948
pubmed: 34085814
Biophys J. 2014 Jun 3;106(11):2493-502
pubmed: 24896129
Microbiol Mol Biol Rev. 2010 Sep;74(3):341-62
pubmed: 20805402
Biophys J. 2016 Nov 1;111(9):1987-1999
pubmed: 27806280
J Comput Chem. 2008 Aug;29(11):1859-65
pubmed: 18351591
Annu Rev Biochem. 2006;75:39-68
pubmed: 16756484
J Chem Inf Model. 2021 Feb 22;61(2):831-839
pubmed: 33442985
J Chem Theory Comput. 2019 Apr 9;15(4):2608-2619
pubmed: 30848905
Biophys J. 2009 Jul 8;97(1):50-8
pubmed: 19580743
Eur J Biochem. 1999 Dec;266(2):460-6
pubmed: 10561586
Nature. 1981 Feb 19;289(5799):696-8
pubmed: 7007894
J Phys Chem B. 2020 Jul 16;124(28):5948-5956
pubmed: 32476421
Phys Chem Chem Phys. 2018 Sep 19;20(36):23635-23648
pubmed: 30191217
EcoSal Plus. 2009 Aug;3(2):
pubmed: 26443756
Eur J Biochem. 1981 May 15;116(2):359-64
pubmed: 7018909
Molecules. 2020 Jun 07;25(11):
pubmed: 32517333
Biopolymers. 2002 Mar;63(3):168-80
pubmed: 11787005
Methods Mol Biol. 2015;1273:391-406
pubmed: 25753722
Nat Chem Biol. 2019 Jun;15(6):632-640
pubmed: 31036922
Curr Opin Struct Biol. 2017 Apr;43:131-140
pubmed: 28157627
J Phys Chem B. 2011 Nov 17;115(45):13381-8
pubmed: 21970408
Carbohydr Res. 2013 Aug 30;378:35-44
pubmed: 23746650
J Phys Chem B. 2010 Jun 17;114(23):7830-43
pubmed: 20496934
J Chem Theory Comput. 2013 Jan 8;9(1):461-469
pubmed: 23316124
J Chem Theory Comput. 2011 Oct 11;7(10):3162-3180
pubmed: 22125473
J Chem Phys. 2020 Jan 21;152(3):035103
pubmed: 31968956
Int J Mol Sci. 2019 Dec 19;21(1):
pubmed: 31861593
Org Biomol Chem. 2010 Aug 21;8(16):3684-95
pubmed: 20574564
Biophys J. 2016 Oct 18;111(8):1750-1760
pubmed: 27760361
J Comput Chem. 2014 Oct 15;35(27):1997-2004
pubmed: 25130509
J Phys Chem B. 2021 Aug 19;125(32):9384-9385
pubmed: 34351153
J Phys Chem B. 2014 Mar 20;118(11):2851-71
pubmed: 24552401

Auteurs

Ya Gao (Y)

School of Mathematics, Physics and Statistics, Shanghai University of Engineering Science, Shanghai 201620, China.
Department of Biological Sciences, Department of Chemistry, and Department of Bioengineering, Lehigh University, Bethlehem, Pennsylvania 18015, United States.
ORCID: 0000-0002-4391-430X

Göran Widmalm (G)

Department of Organic Chemistry, Arrhenius Laboratory, Stockholm University, SE-10691 Stockholm, Sweden.
ORCID: 0000-0001-8303-4481

Wonpil Im (W)

Department of Biological Sciences, Department of Chemistry, and Department of Bioengineering, Lehigh University, Bethlehem, Pennsylvania 18015, United States.
ORCID: 0000-0001-5642-6041

Articles similaires

Bioinspired gelated cell sheet-supported lactobacillus biofilm for aerobic vaginitis diagnosis and treatment.

Yueyue Gui, Qingfei Sun, Kexin Li et al.
1.00
Female Biofilms Animals Lactobacillus Mice

Cell-cell junctions in focus - imaging junctional architectures and dynamics at high resolution.

Vera Janssen, Stephan Huveneers
1.00
Humans Animals Adherens Junctions Intercellular Junctions Tight Junctions

Plant plasmodesmata bridges form through ER-dependent incomplete cytokinesis.

Ziqiang P Li, Hortense Moreau, Jules D Petit et al.
1.00
Plasmodesmata Endoplasmic Reticulum Arabidopsis Cytokinesis Arabidopsis Proteins

Prediction of strain level phage-host interactions across the Escherichia genus using only genomic information.

Baptiste Gaborieau, Hugo Vaysset, Florian Tesson et al.
1.00
Host Specificity Bacteriophages Genomics Algorithms Escherichia coli

Classifications MeSH

questionsmedicales.fr › Facteurs biologiques › Toxines biologiques › Toxines bactériennes › Endotoxines › Lipopolysaccharides › Modeling and Simulation of Bacterial Outer...
questionsmedicales.fr › Cellules › Structures cellulaires › Membrane cellulaire › Modeling and Simulation of Bacterial Outer...
questionsmedicales.fr › Structures bactériennes › Membrane bactérienne externe › Modeling and Simulation of Bacterial Outer...
questionsmedicales.fr › Acides aminés, peptides et protéines › Protéines › Protéines membranaires › Protéines de la membrane externe bactérienne › Modeling and Simulation of Bacterial Outer...
questionsmedicales.fr › Facteurs biologiques › Toxines biologiques › Toxines bactériennes › Endotoxines › Lipopolysaccharides › Lipide A › Modeling and Simulation of Bacterial Outer...
questionsmedicales.fr › Bactéries › Proteobacteria › Gammaproteobacteria › Enterobacteriaceae › Escherichia › Escherichia coli › Modeling and Simulation of Bacterial Outer...