Evidence map›Paper›PMID 34067272›Full record

ArticleInternational journal of molecular sciences2021

Altered Local Interactions and Long-Range Communications in UK Variant (B.1.1.7) Spike Glycoprotein.

Stefano Borocci, Carmen Cerchia, Alessandro Grottesi, Nico Sanna, Ingrid Guarnetti Prandi, Nabil Abid, Andrea R Beccari, Giovanni Chillemi, Carmine Talarico

Open access · goldAbstract read
In one paragraph

Article in International journal of molecular sciences, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 papers.

0numbers the graph read from it
0cells of the map it votes in
8citing papers in PubMed
0.6field-weighted citation impact, top 30% of its field
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

8 citing papers in PubMed, 9 citations in OpenAlex.

  1. Life (Basel, Switzerland) · 2026
    Article
  2. Article
  3. Progress of the "Molecular Informatics" Section in 2022.International journal of molecular sciences · 2023
    Article
  4. Article
  5. The Spike Mutants Website: A Worldwide Used Resource against SARS-CoV-2.International journal of molecular sciences · 2022
    Article
  6. Article
  7. Article
  8. The SARS-CoV-2 spike protein binds and modulates estrogen receptors.bioRxiv : the preprint server for biology · 2022
    Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

9 authors at 6 institutions in 2 countries.

Stefano BorocciDepartment for Innovation in Biological, Agro-Food and Forest Systems, DIBAF, University of Tuscia, Via S. Camillo de Lellis s.n.c., 01100 Viterbo, Italy.ORCID 0000-0003-4931-3019
Carmen CerchiaDepartment of Pharmacy, University of Napoli "Federico II", Via D. Montesano 49, 80131 Napoli, Italy.ORCID 0000-0002-6631-5000
Alessandro GrottesiDepartment HPC, CINECA, Via dei Tizii 6, 00185 Roma, Italy.
Nico SannaDepartment for Innovation in Biological, Agro-Food and Forest Systems, DIBAF, University of Tuscia, Via S. Camillo de Lellis s.n.c., 01100 Viterbo, Italy.ORCID 0000-0002-1947-7939
Ingrid Guarnetti PrandiDepartment of Chemistry and Industrial Chemistry, University of Pisa, Via Giuseppe Moruzzi 3, 56124 Pisa, Italy.ORCID 0000-0002-3253-1821
Nabil AbidLaboratory of Transmissible Diseases and Biological Active Substances LR99ES27, Faculty of Pharmacy, University of Monastir, Rue Ibn Sina, Monastir 5000, Tunisia.ORCID 0000-0001-5318-3654
Andrea R BeccariDompé Farmaceutici SpA, Via Campo di Pile, 67100 L'Aquila, Italy.ORCID 0000-0001-6830-2695
Giovanni ChillemiDepartment for Innovation in Biological, Agro-Food and Forest Systems, DIBAF, University of Tuscia, Via S. Camillo de Lellis s.n.c., 01100 Viterbo, Italy.ORCID 0000-0003-3901-6926
Carmine TalaricoDompé Farmaceutici SpA, Via Campo di Pile, 67100 L'Aquila, Italy.ORCID 0000-0003-4789-0955
Università degli Studi della Tuscia · ITDompé (Italy) · ITCineca · ITUniversity of Monastir · TNUniversity of Naples Federico II · ITUniversity of Pisa · IT

Funding

H2020-SC1-PHE-CORONAVIRUS-2020 101003551
6 · The paper itself

Abstract

The COVID-19 pandemic is caused by SARS-CoV-2. Currently, most of the research efforts towards the development of vaccines and antibodies against SARS-CoV-2 were mainly focused on the spike (S) protein, which mediates virus entry into the host cell by binding to ACE2. As the virus SARS-CoV-2 continues to spread globally, variants have emerged, characterized by multiple mutations of the S glycoprotein. Herein, we employed microsecond-long molecular dynamics simulations to study the impact of the mutations of the S glycoprotein in SARS-CoV-2 Variant of Concern 202012/01 (B.1.1.7), termed the "UK variant", in comparison with the wild type, with the aim to decipher the structural basis of the reported increased infectivity and virulence. The simulations provided insights on the different dynamics of UK and wild-type S glycoprotein, regarding in particular the Receptor Binding Domain (RBD). In addition, we investigated the role of glycans in modulating the conformational transitions of the RBD. The overall results showed that the UK mutant experiences higher flexibility in the RBD with respect to wild type; this behavior might be correlated with the increased transmission reported for this variant. Our work also adds useful structural information on antigenic "hotspots" and epitopes targeted by neutralizing antibodies.

Indexed as

Antibodies, NeutralizingBinding SitesCOVID-19EpitopesHumansHydrogen BondingMolecular Dynamics SimulationPolysaccharidesProtein DomainsProtein Interaction Domains and MotifsSARS-CoV-2Spike Glycoprotein, CoronavirusUnited KingdomAntibodies, NeutralizingEpitopesPolysaccharidesSpike Glycoprotein, Coronavirusspike protein, SARS-CoV-2COVID-19molecular dynamicsSARS-CoV-2spikevariants

Identifiers

PMID34067272
PMCPMC8196891
OpenAlexW3164234415

What OpenQuestion holds

Textmetadata
LicenceCC BY
Read underepoch 390

Registered trials

None linked

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.