Balancing stability and function: impact of the surface charge of SARS-CoV-2 Omicron spike protein

npj Viruses, Journal Year: 2025, Volume and Issue: 3(1)

Published: April 1, 2025

Abstract The ectodomain of the Omicron SARS-CoV-2 spike has an increased positive surface charge, favoring binding to host cell surface, but may affect stability ectodomain. Thermal studies identified two transitions associated with flexibility receptor domain and unfolding whole ectodomain, respectively. Despite destabilizing effects some mutations, compensatory mutations maintain ECD functional advantages thus supporting viral fitness.

Language: Английский

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Host Membranes as Drivers of Virus Evolution

Viruses, Journal Year: 2023, Volume and Issue: 15(9), P. 1854 - 1854

Published: Aug. 31, 2023

The molecular mechanisms controlling the adaptation of viruses to host cells are generally poorly documented. An essential issue resolve is whether membranes, and especially lipid rafts, which usually considered passive gateways for many enveloped viruses, also encode informational guidelines that could determine virus evolution. Due their enrichment in gangliosides confer an electronegative surface potential, rafts impose a first control level favoring selection with enhanced cationic areas, as illustrated by SARS-CoV-2 variants. Ganglioside clusters attract viral particles dynamic electrostatic funnel, more population winning race. However, forces account only small part energy raft-virus interaction, depends mainly on ability form network hydrogen bonds raft gangliosides. This fine tuning virus-ganglioside interactions, stabilize membrane, generates second pressure driven typical induced-fit mechanism. Gangliosides play active role this process, wrapping around spikes through quicksand-like Viruses thus endless race access they bound evolve perpetually, combining speed (electrostatic potential) precision (fine amino acids) under selective immune system. Deciphering membrane evolution may open new avenues design innovative antivirals.

Language: Английский

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Synthesis of Asymmetric Ionic Hybrid Detergents enables Micelles with Scalable Properties including Cell Compatibility

Chemistry - A European Journal, Journal Year: 2024, Volume and Issue: 30(45)

Published: May 31, 2024

Ionic detergents enable applications and cause harm in biospheres due to cell toxicity. The utility of covalent combinations between ionic non-ionic detergent headgroups modulating toxicity remains speculative the yet rarely explored synthesis. We close this gap establish modular synthesis ionic/non-ionic hybrid detergents. restructure a combinatorial methallyl dichloride one-pot coupling into two-step coupling, which reduces by-products, improves product yields, enables gram-scale preparation asymmetric, cationic/non-ionic anionic/non-ionic Our delivers new modalities for design detergents, including an unprecedented scaling properties that determine applications, such as charge, critical micelle concentration, solubilizing properties, hard water tolerance, compatibility. uncover shielding charge can switch species is toxic cells from monomers mixtures micellar assemblies. Establishing chemistry provides missing evolutionary link structural comparison easy access unexplored chemical spaces asymmetric materials, designing supramolecular nanomaterials.

Language: Английский

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Quantitative Prediction of Protein–Polyelectrolyte Binding Thermodynamics: Adsorption of Heparin-Analog Polysulfates to the SARS-CoV-2 Spike Protein RBD

JACS Au, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 6, 2025

Interactions of polyelectrolytes (PEs) with proteins play a crucial role in numerous biological processes, such as the internalization virus particles into host cells. Although docking, machine learning methods, and molecular dynamics (MD) simulations are utilized to estimate binding poses free energies small-molecule drugs proteins, quantitative prediction thermodynamics PE-based presents significant obstacle computer-aided drug design. This is due sluggish PEs caused by their size strong charge-charge correlations. In this paper, we introduce advanced sampling methods based on force-spectroscopy setup theoretical modeling overcome barrier. We exemplify our method explicit solvent all-atom MD interactions between anionic that show antiviral properties, namely heparin linear polyglycerol sulfate (LPGS), SARS-CoV-2 spike protein receptor domain (RBD). Our for free-energy LPGS wild-type RBD matches experimentally measured dissociation constants within thermal energy, k B T, correctly reproduces experimental PE-length dependence. find binds Delta-variant an additional gain 2.4 compared RBD, presence two mutated cationic residues contributing electrostatic energy gain. LPGS-RBD dominated enthalpy driven, though large entropy-enthalpy compensation. applicable general polymer adsorption phenomena predicts precise reconfigurational friction needed drug-delivery

Language: Английский

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Harnessing Electrostatic Forces: A Review of Bees as Bioindicators for Particulate Matter Detection

Insects, Journal Year: 2025, Volume and Issue: 16(4), P. 373 - 373

Published: April 1, 2025

Bees (Hymenoptera, Anthophila) are widely recognized for their essential ecological roles, including pollination and biodiversity maintenance. Recently, ability to collect environmental particulate matter through electrostatic forces has been explored biomonitoring purposes. This review integrates knowledge on pollen adhesion with emerging insights into bees, emphasizing potential as bioindicators. The mechanisms of adhesion, influenced by factors such the physicochemical properties bee morphology, discussed in detail. Additionally, study evaluates efficiency pollutants, heavy metals, microplastics, nanoplastics, pathogens, pesticides, radionuclides, volatile organic compounds. multidisciplinary approach underscores role bees advancing monitoring methodologies offers innovative tools assessing ecosystem health while addressing drivers decline.

Language: Английский

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Integrative Genome-Based Survey of the SARS-CoV-2 Omicron XBB.1.16 Variant

International Journal of Molecular Sciences, Journal Year: 2023, Volume and Issue: 24(17), P. 13573 - 13573

Published: Sept. 1, 2023

The XBB.1.16 SARS-CoV-2 variant, also known as Arcturus, is a recent descendant lineage of the recombinant XBB (nicknamed Gryphon). Compared to its direct progenitor, XBB.1, carries additional spike mutations in key antigenic sites, potentially conferring an ability evade immune response compared other circulating lineages. In this context, we conducted comprehensive genome-based survey gain detailed understanding evolution and potential dangers which became dominant late June. Genetic data indicates that variant exhibits evolutionary background with limited diversification, unlike dangerous lineages for rapid changes. rate XBB.1.16, amounts 3.95 × 10-4 subs/site/year, slightly slower than progenitors, XBB.1.5, have been several months. A Bayesian Skyline Plot reconstruction suggests peak genetic variability was reached early May 2023, currently, it plateau phase viral population size similar levels observed March. Structural analyses indicate that, overall, does not possess structural characteristics markedly different from those parent lineages, theoretical affinity ACE2 seem change among variants. conclusion, do provide evidence exceptional danger or high expansion capability. Detected differences previous are probably due drift, allows virus constant adaptability host, but they necessarily connected greater danger. Nevertheless, continuous monitoring essential better descendants

Language: Английский

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Real-Time Study of the Specific Interactions of Lactoferrin with Mimicked Heparan Sulfate Meshes Using Ordered Porous Layer Interferometry

Analytical Chemistry, Journal Year: 2024, Volume and Issue: 96(36), P. 14413 - 14423

Published: July 11, 2024

Heparan sulfate (HS) meshes within the glycocalyx on cell surfaces have protein recognition ability and been crucial for gaining insights into vital bioprocesses, such as viral infection, cancer development, inflammation. The is determined by mesh property compositions of HS, although little attention has paid to effect recognition. An in-depth specificity study protein-HS-mesh essential illustrate related biological functions. Here, ordered porous layer interferometry applied interaction behavior between mimicked HS lactoferrin (LF). Our work aimed at mimicking with heparin, a widely used substitute analyzing specific LF-heparin-mesh mechanism inhibiting nonspecific in blended sample. We found that counterion release-based electrostatic dominant Furthermore, we detail contributions interactions concentrated charge distribution proteins appears be primarily this robust,

Language: Английский

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Zein-based nanostructured coatings: A green approach to enhance virucidal efficacy of protective face masks

International Journal of Biological Macromolecules, Journal Year: 2024, Volume and Issue: unknown, P. 138830 - 138830

Published: Dec. 1, 2024

Language: Английский

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Emerging severe acute respiratory syndrome coronavirus 2 variants and their impact on immune evasion and vaccine-induced immunity

Transactions of the Royal Society of Tropical Medicine and Hygiene, Journal Year: 2024, Volume and Issue: unknown

Published: Sept. 19, 2024

Abstract Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) variants harboring mutations in the structural protein, especially receptor binding domain (RBD) of spike have raised concern about potential immune escape. The protein SARS-CoV-2 plays a vital role infection and is an important target for neutralizing antibodies. that occur proteins, lead to changes virus attributes transmissibility, increase disease severity, notable reduction antibodies generated thus decreased response vaccines therapy. observed multiple RBD showed escape because it increases affinity with ACE-2 host cells resistance Cytotoxic T-cell responses are crucial controlling infections from infected tissues clearing them circulation. T efficiently recognized killed by releasing soluble mediator's perforin granzymes. However, overwhelming and, subsequently, overproduction inflammatory mediators during severe may poor outcomes. This review article summarizes impact SARS-CoV-2, RBD, on immunogenicity, vaccine-induced immunity, which could contribute future studies focusing vaccine design immunotherapy.

Language: Английский

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