Ocular neuroinflammatory response secondary to SARS-CoV-2 infection-a review

Frontiers in Immunology, Journal Year: 2025, Volume and Issue: 16

Published: Feb. 4, 2025

With the consistent occurrence of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection, prevalence various ocular complications has increased over time. SARS-CoV-2 infection been shown to have neurotropism and therefore lead not only peripheral inflammatory responses but also neuroinflammation. Because receptor for SARS-CoV-2, angiotensin-converting enzyme (ACE2), can be found in many intraocular tissues, disease 2019 (COVID-19) may contribute persistent neuroinflammation, microcirculation dysfunction symptoms. Increased awareness neuroinflammation future research on interventional strategies are important improving long-term outcomes, reducing burden, quality life. Therefore, aim this review is focus discuss current evidence perspectives, especially possible connections between conditions potential treatment strategies.

Language: Английский

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Interplay between diphenyl diselenide and copper: Impact on D. melanogaster survival, behavior, and biochemical parameters

Comparative Biochemistry and Physiology Part C Toxicology & Pharmacology, Journal Year: 2024, Volume and Issue: 281, P. 109899 - 109899

Published: March 20, 2024

Language: Английский

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Comprehensive in-vitro antibacterial and in-silico anti-viral evaluations of selected fluorinated-quinolone ligands and their Ag/Zn-based coordination polymers

Journal of Molecular Structure, Journal Year: 2025, Volume and Issue: unknown, P. 141280 - 141280

Published: Jan. 1, 2025

Language: Английский

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In Silico and In Vitro Studies of the Approved Antibiotic Ceftaroline Fosamil and Its Metabolites as Inhibitors of SARS-CoV-2 Replication

Viruses, Journal Year: 2025, Volume and Issue: 17(4), P. 491 - 491

Published: March 28, 2025

The SARS-CoV-2 proteases Mpro and PLpro are critical targets for antiviral drug development the treatment of COVID-19. 1,2,4-thiadiazole functional group is an inhibitor cysteine proteases, such as papain cathepsins. This chemical moiety also present in ceftaroline fosamil (CF), FDA-approved fifth-generation cephalosporin antibiotic. study investigates interactions between CF, its primary metabolites (M1 dephosphorylated CF M2 opened β-lactam ring) derivatives (protonated M1H M2H), open rings (open-M1H open-M2H) with evaluates CF’s effects on vitro viral replication. In silico analyses (molecular docking molecular dynamics (MD) simulations) demonstrated that potential inhibitors Mpro. Docking analysis indicated majority ligands were more stable than PLpro; however, biochemical preferred target CF. inhibited replication human Calu-3 cell model at submicromolar concentrations when added to culture medium 12 h. Our results suggest should be evaluated a repurposing agent COVID-19, considering not only but other relevant cellular pathways. Additionally, reactivity sulfur warrants further exploration protease inhibitors.

Language: Английский

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New insights in the mechanism of the SARS-CoV-2 Mpro inhibition by benzisoselenazolones and diselenides

Scientific Reports, Journal Year: 2024, Volume and Issue: 14(1)

Published: Oct. 21, 2024

Although global vaccination campaigns alleviated the SARS-CoV-2 pandemic in terms of morbidity and mortality, ability virus to originate mutants may reduce efficacy vaccines, posing a serious risk renewed pandemic. There is therefore need develop small molecules capable targeting conserved viral targets, such as main protease (Mpro). Here, series benzisoselenazolones diselenides were tested for their inhibit Mpro; then most potent compounds measured antiviral activity vitro, mechanism action was investigated. Density functional theory calculations, molecular docking dynamics simulations also used elucidate protein/drug interaction. Finally, bio-organic model established study reaction between selenorganic biologically relevant thiols unveil possible metabolic pathways compounds. The overall results contribute identification novel Se-containing active against clarification some important aspects mechanisms inhibitors Mpro.

Language: Английский

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Exploring the binding dynamics of covalent inhibitors within active site of PLpro in SARS-CoV-2

Computational Biology and Chemistry, Journal Year: 2024, Volume and Issue: 112, P. 108132 - 108132

Published: June 24, 2024

Language: Английский

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New insights in the mechanism of the SARS-CoV-2 Mpro inhibition by benzisoselenazolones and diselenides

Research Square (Research Square), Journal Year: 2024, Volume and Issue: unknown

Published: March 28, 2024

Abstract Although global vaccination campaigns relieved the SARS-CoV-2 pandemic in terms of morbidity and mortality, capability virus to originate mutants may reduce vaccines efficiency, posing a serious risk fall into again. As result, there is need develop small molecules able tackle conserved viral targets, such as main protease (M pro ). Here series benzisoselenazolones diselenides were tested for their ability inhibit M , then, most potent compounds, antiviral activity was measured vitro, mechanism action investigated. Density functional theory molecular docking procedures also implemented shed light protein/compound interaction. Finally, bioorganic model set up investigate reaction between selenorganic compounds biologically relevant thiols, unravel possible metabolic pathways compounds. The overall results contribute identify novel Se-containing active against SARS-CoV-2, clarify some important aspects mechanisms inhibitors targeting .

Language: Английский

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Protein Allosteric Site Identification Using Machine Learning and Per Amino Acid Residue Reported Internal Protein Nanoenvironment Descriptors

Computational and Structural Biotechnology Journal, Journal Year: 2024, Volume and Issue: 23, P. 3907 - 3919

Published: Oct. 23, 2024

Language: Английский

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