Step-by-step design of proteins for small molecule interaction: A review on recent milestones

resumo

Protein design is the field of synthetic biology that aims at developing de novo custom-made proteins and peptides for specific applications. Despite exploring an ambitious goal, recent computational advances in both hardware and software technologies have paved the way to high-throughput screening and detailed design of novel folds and improved functionalities. Modern advances in the field of protein design for small molecule targeting are described in this review, organized in a step-by-step fashion: from the conception of a new or upgraded active binding site, to scaffold design, sequence optimization, and experimental expression of the custom protein. In each step, contemporary examples are described, and state-of-the-art software is briefly explored.

palavras-chave

DIRECT-COUPLING ANALYSIS; COMPUTATIONAL DESIGN; STRUCTURE PREDICTION; RATIONAL DESIGN; ENERGY FUNCTION; PEPTIDE-SYNTHESIS; BINDING; CELL; STABILITY; ELIMINATION

categoria

Biochemistry & Molecular Biology

autores

Pereira, JM; Vieira, M; Santos, SM

nossos autores

agradecimentos

Fundacao para a Ciencia e a Tecnologia, Grant/Award Numbers: SFRH/BD/138820/2018, UIDB/50011/2020, UIDP/50011/2020

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