ArticlePloS one2020
Development and simulation of fully glycosylated molecular models of ACE2-Fc fusion proteins and their interaction with the SARS-CoV-2 spike protein binding domain.
Article in PloS one, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 30 papers.
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Who cites it
30 citing papers in PubMed, 60 citations in OpenAlex.
- Glycans Modulate the Adsorption of RBD Glycoproteins on Polarizable Surfaces.Journal of chemical information and modeling · 2026Article
- Characterization of Site-Specific N- and O-Glycopeptides from Recombinant Spike and ACE2 Glycoproteins Using LC-MS/MS Analysis.International journal of molecular sciences · 2024Article
- Examination of respiratory syncytial virus fusion protein proteolytic processing and roles of the P27 domain.Journal of virology · 2024Article
- Engineering a "muco-trapping" ACE2-immunoglobulin hybrid with picomolar affinity as an inhaled, pan-variant immunotherapy for COVID-19.Bioengineering & translational medicine · 2024Article
- Covid-19 Prevention and Treatment by Targeting Fc-fusion Proteins: An Experience to Fight Emerging Diseases.Current molecular medicine · 2024Review
- Article
- Investigation of the effects ofComputational & theoretical chemistry · 2023Article
- Plants as Biofactories for Therapeutic Proteins and Antiviral Compounds to Combat COVID-19.Life (Basel, Switzerland) · 2023Review
- Herbal medications and natural products for patients with covid-19 and diabetes mellitus: Potentials and challenges.Phytomedicine plus : international journal of phytotherapy and phytopharmacology · 2022Review
- Methodology-Centered Review of Molecular Modeling, Simulation, and Prediction of SARS-CoV-2.Chemical reviews · 2022Review
- Effect of Hyperglycemia on COVID-19 Outcomes: Vaccination Efficacy, Disease Severity, and Molecular Mechanisms.Journal of clinical medicine · 2022Review
- ACE2-Fc fusion protein overcomes viral escape by potently neutralizing SARS-CoV-2 variants of concern.Antiviral research · 2022Article
- Article
- SARS-CoV-2 spike binding to ACE2 is stronger and longer ranged due to glycan interaction.Biophysical journal · 2022Article
- Antigenic Cross-Reactivity Between SARS-CoV-2 S1-RBD and Its Receptor ACE2.Frontiers in immunology · 2022Article
- SARS-CoV-2 spike protein variant binding affinity to an angiotensin-converting enzyme 2 fusion glycoproteins.PloS one · 2022Article
- Using molecular dynamics simulations to interrogate T cell receptor non-equilibrium kinetics.Computational and structural biotechnology journal · 2022Article
- Picomolar inhibition of SARS-CoV-2 variants of concern by an engineered ACE2-IgG4-Fc fusion protein.Antiviral research · 2021Article
- Contributions of the international plant science community to the fight against human infectious diseases - part 1: epidemic and pandemic diseases.Plant biotechnology journal · 2021Review
- Perturbation of ACE2 Structural Ensembles by SARS-CoV-2 Spike Protein Binding.Journal of chemical theory and computation · 2021Article
Corrections and comments
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Authors and funding
7 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
We develop fully glycosylated computational models of ACE2-Fc fusion proteins which are promising targets for a COVID-19 therapeutic. These models are tested in their interaction with a fragment of the receptor-binding domain (RBD) of the Spike Protein S of the SARS-CoV-2 virus, via atomistic molecular dynamics simulations. We see that some ACE2 glycans interact with the S fragments, and glycans are influencing the conformation of the ACE2 receptor. Additionally, we optimize algorithms for protein glycosylation modelling in order to expedite future model development. All models and algorithms are openly available.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.