Evidence map›Paper›PMID 36551988›Full record

ArticleBiomedicines2022

Conformational Dynamics of the Receptor-Binding Domain of the SARS-CoV-2 Spike Protein.

Aleksandra A Mamchur, Tatiana B Stanishneva-Konovalova, Yuliana A Mokrushina, Viktoria A Abrikosova, Yu Guo, Hongkai Zhang, Stanislav S Terekhov, Ivan V Smirnov, Igor A Yaroshevich

Abstract read
In one paragraph

Article in Biomedicines, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing papers in PubMed
–field-weighted citation impact
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

1 citing paper in PubMed.

  1. 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.

Aleksandra A MamchurDepartment of biophysics, Faculty of Biology, Lomonosov Moscow State University, Moscow 119991, Russia.
Tatiana B Stanishneva-KonovalovaDepartment of bioengineering, Faculty of Biology, Lomonosov Moscow State University, Moscow 119991, Russia.ORCID 0000-0002-8427-8178
Yuliana A MokrushinaShemyakin-Ovchinnikov Institute of Bioorganic Chemistry, Russian Academy of Sciences, Moscow 117997, Russia.ORCID 0000-0002-4669-9545
Viktoria A AbrikosovaShemyakin-Ovchinnikov Institute of Bioorganic Chemistry, Russian Academy of Sciences, Moscow 117997, Russia.
Yu GuoState Key Laboratory of Medicinal Chemical Biology, College of Pharmacy, Nankai University, Tianjin 300071, China.
Hongkai ZhangState Key Laboratory of Medicinal Chemical Biology, College of Pharmacy, Nankai University, Tianjin 300071, China.
Stanislav S TerekhovShemyakin-Ovchinnikov Institute of Bioorganic Chemistry, Russian Academy of Sciences, Moscow 117997, Russia.ORCID 0000-0003-2220-0452
Ivan V SmirnovShemyakin-Ovchinnikov Institute of Bioorganic Chemistry, Russian Academy of Sciences, Moscow 117997, Russia.ORCID 0000-0002-0384-6568
Igor A YaroshevichDepartment of biophysics, Faculty of Biology, Lomonosov Moscow State University, Moscow 119991, Russia.ORCID 0000-0002-8525-5568

Funding

Russian Science Foundation 22-74-00012
6 · The paper itself

Abstract

Variants of SARS-CoV-2 keep emerging and causing new waves of COVID-19 around the world. Effective new approaches in drug development are based on the binding of agents, such as neutralizing monoclonal antibodies to a receptor-binding domain (RBD) of SARS-CoV-2 spike protein. However, mutations in RBD may lower the affinity of previously developed antibodies. Therefore, rapid analysis of new variants and selection of a binding partner with high affinity is of great therapeutic importance. Here, we explore a computational approach based on molecular dynamics simulations and conformational clusterization techniques for the wild-type and omicron variants of RBD. Biochemical experiments support the hypothesis of the presence of several conformational states within the RBD assembly. The development of such an approach will facilitate the selection of neutralization drugs with higher affinity based on the primary structure of the target antigen.

Indexed as

COVID-19molecular dynamicsreceptor-binding domainSARS-CoV-2

Identifiers

PMID36551988
PMCPMC9775641

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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.