Antibody-Antigen Binding Interface Analysis in the Big Data Era.

antibody-antigen complex complementarity-determining region (CDR) epitope analysis paratope analysis structure analysis and characterization

Journal

Frontiers in molecular biosciences
ISSN: 2296-889X
Titre abrégé: Front Mol Biosci
Pays: Switzerland
ID NLM: 101653173

Informations de publication

Date de publication:
2022
Historique:
received: 17 05 2022
accepted: 24 06 2022
entrez: 1 8 2022
pubmed: 2 8 2022
medline: 2 8 2022
Statut: epublish

Résumé

Antibodies have become the Swiss Army tool for molecular biology and nanotechnology. Their outstanding ability to specifically recognise molecular antigens allows their use in many different applications from medicine to the industry. Moreover, the improvement of conventional structural biology techniques (e.g., X-ray, NMR) as well as the emergence of new ones (e.g., Cryo-EM), have permitted in the last years a notable increase of resolved antibody-antigen structures. This offers a unique opportunity to perform an exhaustive structural analysis of antibody-antigen interfaces by employing the large amount of data available nowadays. To leverage this factor, different geometric as well as chemical descriptors were evaluated to perform a comprehensive characterization.

Identifiants

pubmed: 35911958
doi: 10.3389/fmolb.2022.945808
pii: 945808
pmc: PMC9329859
doi:

Types de publication

Journal Article

Langues

eng

Pagination

945808

Informations de copyright

Copyright © 2022 Reis, Barletta, Gagliardi, Fortuna, Soler and Rocchia.

Déclaration de conflit d'intérêts

The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest.

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Auteurs

Pedro B P S Reis (PBPS)

CONCEPT Lab, Istituto Italiano di Teconologia, Genova, Italy.
Bioisi, University of Lisbon, Lisbon, Portugal.

German P Barletta (GP)

CONCEPT Lab, Istituto Italiano di Teconologia, Genova, Italy.
Universidad Nacional de Quilmes/CONICET, Quilmes, Argentina.
The Abdus Salam International Centre for Theoretical Physics (ICTP), Trieste, Italy.

Luca Gagliardi (L)

CONCEPT Lab, Istituto Italiano di Teconologia, Genova, Italy.

Sara Fortuna (S)

CONCEPT Lab, Istituto Italiano di Teconologia, Genova, Italy.

Miguel A Soler (MA)

CONCEPT Lab, Istituto Italiano di Teconologia, Genova, Italy.
Dipartimento di Scienze Matematiche, Informatiche e Fisiche, Universita' di Udine, Udine, Italy.

Walter Rocchia (W)

CONCEPT Lab, Istituto Italiano di Teconologia, Genova, Italy.

Classifications MeSH