Detail publikace

Computational design of enzymes for biotechnological applications

MARQUES, S. DAMBORSKÝ, J. MUSIL, M. ŠTOURAČ, J. BEDNÁŘ, D.

Originální název

Computational design of enzymes for biotechnological applications

Anglický název

Computational design of enzymes for biotechnological applications

Jazyk

en

Originální abstrakt

Enzymes are the natural catalysts that execute biochemical reactions upholding life. Their natural effectiveness has been fine-tuned as a result of millions of years of natural evolution. Such catalytic effectiveness has prompted the use of biocatalysts from multiple sources on different applications, including the industrial production of goods (food and beverages, detergents, textile, and pharmaceutics), environmental protection, and biomedical applications. Natural enzymes often need to be improved by protein engineering to optimize their function in non-native environments. Recent technological advances have greatly facilitated this process by providing the experimental approaches of directed evolution or by enabling computer-assisted applications. Directed evolution mimics the natural selection process in a highly accelerated fashion at the expense of arduous laboratory work and economic resources. Theoretical methods provide predictions and represent an attractive complement to such experiments by waiving their inherent costs. Computational techniques can be used to engineer enzymatic reactivity, substrate specificity and ligand binding, access pathways and ligand transport, and global properties like protein stability, solubility, and flexibility. Theoretical approaches can also identify hotspots on the protein sequence for mutagenesis and predict suitable alternatives for selected positions with expected outcomes. This review covers the latest advances in computational methods for enzyme engineering and presents many successful case studies.

Anglický abstrakt

Enzymes are the natural catalysts that execute biochemical reactions upholding life. Their natural effectiveness has been fine-tuned as a result of millions of years of natural evolution. Such catalytic effectiveness has prompted the use of biocatalysts from multiple sources on different applications, including the industrial production of goods (food and beverages, detergents, textile, and pharmaceutics), environmental protection, and biomedical applications. Natural enzymes often need to be improved by protein engineering to optimize their function in non-native environments. Recent technological advances have greatly facilitated this process by providing the experimental approaches of directed evolution or by enabling computer-assisted applications. Directed evolution mimics the natural selection process in a highly accelerated fashion at the expense of arduous laboratory work and economic resources. Theoretical methods provide predictions and represent an attractive complement to such experiments by waiving their inherent costs. Computational techniques can be used to engineer enzymatic reactivity, substrate specificity and ligand binding, access pathways and ligand transport, and global properties like protein stability, solubility, and flexibility. Theoretical approaches can also identify hotspots on the protein sequence for mutagenesis and predict suitable alternatives for selected positions with expected outcomes. This review covers the latest advances in computational methods for enzyme engineering and presents many successful case studies.

Dokumenty

BibTex


@article{BUT169805,
  author="Jiří {Damborský} and Miloš {Musil} and Jan {Štourač} and David {Bednář}",
  title="Computational design of enzymes for biotechnological applications",
  annote="Enzymes are the natural catalysts that execute biochemical reactions upholding
life. Their natural effectiveness has been fine-tuned as a result of millions of
years of natural evolution. Such catalytic effectiveness has prompted the use of
biocatalysts from multiple sources on different applications, including the
industrial production of goods (food and beverages, detergents, textile, and
pharmaceutics), environmental protection, and biomedical applications. Natural
enzymes often need to be improved by protein engineering to optimize their
function in non-native environments. Recent technological advances have greatly
facilitated this process by providing the experimental approaches of directed
evolution or by enabling computer-assisted applications. Directed evolution
mimics the natural selection process in a highly accelerated fashion at the
expense of arduous laboratory work and economic resources. Theoretical methods
provide predictions and represent an attractive complement to such experiments by
waiving their inherent costs. Computational techniques can be used to engineer
enzymatic reactivity, substrate specificity and ligand binding, access pathways
and ligand transport, and global properties like protein stability, solubility,
and flexibility. Theoretical approaches can also identify hotspots on the protein
sequence for mutagenesis and predict suitable alternatives for selected positions
with expected outcomes. This review covers the latest advances in computational
methods for enzyme engineering and presents many successful case studies.",
  address="NEUVEDEN",
  chapter="169805",
  doi="10.1016/j.biotechadv.2021.107696",
  edition="NEUVEDEN",
  howpublished="online",
  institution="NEUVEDEN",
  number="1",
  volume="47",
  year="2021",
  month="february",
  pages="1--22",
  publisher="NEUVEDEN",
  type="journal article - other"
}