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Diseño computacional de catalizadores biológicos

Authors: Martí Forés, Sergio; Moliner, Vicent; Andres, Juan; Roca, Maite; López Canut, Violeta; Silla, Estanislao; Tuñón, Iñaki; +1 Authors

Diseño computacional de catalizadores biológicos

Abstract

Las enzimas son una fuente de inspiración para el diseño de nuevos catalizadores con usos industriales que puedan funcionar en condiciones suaves de presión, temperatura y disolventes. El estado de transición de la reacción que se pretende catalizar, es la pieza clave para comprender cómo las enzimas son capaces de acelerar las reacciones. A partir de esta información se pueden proponer estructuras proteicas, o posibles mutaciones en el centro activo de proteínas, conduciendo a la síntesis de nuevos biocatalizadores. En este artículo presentamos los avances en este campo, clasificados en función del material de partida: anticuerpos catalíticos, enzimas modificadas y enzimas diseñadas de novo.

Enzymes are a source of inspiration for the design of new and powerful industrial catalysts able to work, in principle, in mild conditions of pressure, temperature and solvents. The Transition State of the reaction is the keystone to understand how enzymes are able to speed up reactions. This information can be then employed to design protein structures or successful mutations in the active site of proteins leading to the synthesis of new biocatalysts. In this paper we show advances in this field, classified according to the starting material: catalytic antibodies, modified enzymes and enzymes designed de novo.

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Spain
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Keywords

biocatalizadores, enzymes, rational design, Biocatalysts, química computacional, enzimas, transition state, estado de transición, computational chemistry, diseño racional

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
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