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Structure-based computational design of antibody mimetics: challenges and perspectives.
Chaves, Elton J F; Coêlho, Danilo F; Cruz, Carlos H B; Moreira, Emerson G; Simões, Júlio C M; Nascimento-Filho, Manassés J; Lins, Roberto D.
Afiliación
  • Chaves EJF; Aggeu Magalhães Institute, Oswaldo Cruz Foundation, Recife, Brazil.
  • Coêlho DF; Department of Fundamental Chemistry, Federal University of Pernambuco, Recife, Brazil.
  • Cruz CHB; Institute of Structural and Molecular Biology, University College London, UK.
  • Moreira EG; Fiocruz Genomics Network, Brazil.
  • Simões JCM; Aggeu Magalhães Institute, Oswaldo Cruz Foundation, Recife, Brazil.
  • Nascimento-Filho MJ; Department of Fundamental Chemistry, Federal University of Pernambuco, Recife, Brazil.
  • Lins RD; Aggeu Magalhães Institute, Oswaldo Cruz Foundation, Recife, Brazil.
FEBS Open Bio ; 2024 Jun 26.
Article en En | MEDLINE | ID: mdl-38925955
ABSTRACT
The design of antibody mimetics holds great promise for revolutionizing therapeutic interventions by offering alternatives to conventional antibody therapies. Structure-based computational approaches have emerged as indispensable tools in the rational design of those molecules, enabling the precise manipulation of their structural and functional properties. This review covers the main classes of designed antigen-binding motifs, as well as alternative strategies to develop tailored ones. We discuss the intricacies of different computational protein-protein interaction design strategies, showcased by selected successful cases in the literature. Subsequently, we explore the latest advancements in the computational techniques including the integration of machine and deep learning methodologies into the design framework, which has led to an augmented design pipeline. Finally, we verse onto the current challenges that stand in the way between high-throughput computer design of antibody mimetics and experimental realization, offering a forward-looking perspective into the field and the promises it holds to biotechnology.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: FEBS Open Bio Año: 2024 Tipo del documento: Article País de afiliación: Brasil Pais de publicación: Reino Unido

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: FEBS Open Bio Año: 2024 Tipo del documento: Article País de afiliación: Brasil Pais de publicación: Reino Unido