Bilayer conformation of fusion peptide of influenza virus hemagglutinin: a molecular dynamics simulation study

Biophysical Journal
Qiang HuangA Herrmann

Abstract

Unraveling the conformation of membrane-bound viral fusion peptides is essential for understanding how those peptides destabilize the bilayer topology of lipids that is important for virus-cell membrane fusion. Here, molecular dynamics (MD) simulations were performed to investigate the conformation of the 20 amino acids long fusion peptide of influenza hemagglutinin of strain X31 bound to a dimyristoyl phosphatidylcholine (DMPC) bilayer. The simulations revealed that the peptide adopts a kinked conformation, in agreement with the NMR structures of a related peptide in detergent micelles. The peptide is located at the amphipathic interface between the headgroups and hydrocarbon chains of the lipid by an energetically favorable arrangement: The hydrophobic side chains of the peptides are embedded into the hydrophobic region and the hydrophilic side chains are in the headgroup region. The N-terminus of the peptide is localized close to the amphipathic interface. The molecular dynamics simulations also revealed that the peptide affects the surrounding bilayer structure. The average hydrophobic thickness of the lipid phase close to the N-terminus is reduced in comparison with the average hydrophobic thickness of a pure dimyristoyl p...Continue Reading

References

Jan 1, 1987·Annual Review of Biochemistry·D C Wiley, J J Skehel
Nov 17, 1995·The Journal of Biological Chemistry·J LünebergA Herrmann
Nov 22, 1994·Proceedings of the National Academy of Sciences of the United States of America·T B Woolf, B Roux
Feb 1, 1996·Journal of Molecular Graphics·W HumphreyK Schulten
Nov 7, 1998·Biochimica Et Biophysica Acta·R M Epand
Nov 10, 1998·Chemistry and Physics of Lipids·H I PetracheJ F Nagle
May 4, 2000·Protein Science : a Publication of the Protein Society·P V DubovskiiK Akasaka
Aug 31, 2000·Annual Review of Biochemistry·J J Skehel, D C Wiley
Nov 9, 2000·Proceedings of the National Academy of Sciences of the United States of America·X Han, L K Tamm
Jun 8, 2001·Annual Review of Biochemistry·D M Eckert, P S Kim
Apr 20, 2002·Biophysical Journal·Elizabeth A DolanBernard R Brooks
Jul 23, 2003·Biochimica Et Biophysica Acta·Richard M Epand
Apr 30, 1998·The Journal of Physical Chemistry. B·A D MacKerellM Karplus

❮ Previous
Next ❯

Citations

Apr 12, 2007·Journal of Preventive Medicine and Public Health = Yebang Ŭihakhoe Chi·Insung Ahn, Hyeon S Son
Oct 3, 2006·Journal of Molecular Biology·Jeong H LeeEric T Boder
Jan 21, 2014·Biochimica Et Biophysica Acta·Neil R HariaChristian D Lorenz
Jun 9, 2012·Biophysical Journal·Sébastien Légaré, Patrick Lagüe
Mar 19, 2015·BioMed Research International·Eric Paquet, Herna L Viktor
Nov 9, 2016·Biochimica Et Biophysica Acta. General Subjects·Remigiusz WorchPiotr Setny
Sep 27, 2006·Biochimica Et Biophysica Acta·M Sammalkorpi, T Lazaridis
Jun 5, 2013·Biology·William J Allen, Robert C Rizzo
Feb 15, 2018·International Journal of Molecular Sciences·Remigiusz WorchPiotr Setny
Aug 28, 2007·Journal of Biomolecular Structure & Dynamics·Roman G EfremovAlexander S Arseniev
Sep 6, 2018·Current Opinion in Virology·Jodi A Hadden, Juan R Perilla
Jun 18, 2009·Journal of the American Chemical Society·Marc FuhrmansSiewert J Marrink
Jun 3, 2021·International Journal of Molecular Sciences·Remigiusz WorchPiotr Setny
Oct 12, 2004·Biophysical Journal·Loredana VaccaroFranca Fraternali
May 23, 2015·The Journal of Physical Chemistry. B·Javier L Baylon, Emad Tajkhorshid
Dec 24, 2011·Journal of the American Chemical Society·Marc Fuhrmans, Siewert J Marrink
Oct 26, 2012·The Journal of Physical Chemistry. B·Jean-Marc CrowetMark S P Sansom
Apr 1, 2015·Journal of Chemical Information and Modeling·Bruno L VictorCláudio M Soares
Feb 14, 2019·Chemical Reviews·Valentina CorradiD Peter Tieleman
Jan 9, 2021·Journal of Chemical Information and Modeling·Subhomoi BorkotokyManidipa Banerjee
Nov 3, 2005·Biochemistry·Pavel E VolynskyRoman G Efremov
Nov 17, 2021·Biochemical Society Transactions·Alzbeta Tuerkova, Peter M Kasson

❮ Previous
Next ❯

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.