Behind the Scenes of PluriZyme Designs

Protein engineering is the design and modification of protein structures to optimize their functions or create novel functionalities for applications in biotechnology, medicine or industry. It represents an essential scientific solution for many of the environmental and societal challenges ahead of...

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Main Authors: Ana Robles-Martín, Sergi Roda, Rubén Muñoz-Tafalla, Victor Guallar
Format: Article
Language:English
Published: MDPI AG 2024-01-01
Series:Eng
Subjects:
Online Access:https://www.mdpi.com/2673-4117/5/1/6
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author Ana Robles-Martín
Sergi Roda
Rubén Muñoz-Tafalla
Victor Guallar
author_facet Ana Robles-Martín
Sergi Roda
Rubén Muñoz-Tafalla
Victor Guallar
author_sort Ana Robles-Martín
collection DOAJ
description Protein engineering is the design and modification of protein structures to optimize their functions or create novel functionalities for applications in biotechnology, medicine or industry. It represents an essential scientific solution for many of the environmental and societal challenges ahead of us, such as polymer degradation. Unlike traditional chemical methods, enzyme-mediated degradation is selective and environmentally friendly and requires milder conditions. Computational methods will play a critical role in developing such solutions by enabling more efficient bioprospecting of natural polymer-degrading enzymes. They provide structural information, generate mechanistic studies, and formulate new hypotheses, facilitating the modeling and modification of these biocatalysts through enzyme engineering. The recent development of pluriZymes constitutes an example, providing a rational mechanism to integrate different biochemical processes into one single enzyme. In this review, we summarize our recent efforts in this line and introduce our early work towards polymer degradation using a pluriZyme-like technology, including our latest development in PET nanoparticle degradation. Moreover, we provide a comprehensive recipe for developing one’s own pluriZyme so that different laboratories can experiment with them and establish new limits. With modest computational resources and with help from this review, your first pluriZyme is one step closer.
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spelling doaj.art-918843479472405ba371b252b1f1705c2024-03-27T13:35:57ZengMDPI AGEng2673-41172024-01-01519110310.3390/eng5010006Behind the Scenes of PluriZyme DesignsAna Robles-Martín0Sergi Roda1Rubén Muñoz-Tafalla2Victor Guallar3Barcelona Supercomputing Center (BSC), 08034 Barcelona, SpainBarcelona Supercomputing Center (BSC), 08034 Barcelona, SpainBarcelona Supercomputing Center (BSC), 08034 Barcelona, SpainBarcelona Supercomputing Center (BSC), 08034 Barcelona, SpainProtein engineering is the design and modification of protein structures to optimize their functions or create novel functionalities for applications in biotechnology, medicine or industry. It represents an essential scientific solution for many of the environmental and societal challenges ahead of us, such as polymer degradation. Unlike traditional chemical methods, enzyme-mediated degradation is selective and environmentally friendly and requires milder conditions. Computational methods will play a critical role in developing such solutions by enabling more efficient bioprospecting of natural polymer-degrading enzymes. They provide structural information, generate mechanistic studies, and formulate new hypotheses, facilitating the modeling and modification of these biocatalysts through enzyme engineering. The recent development of pluriZymes constitutes an example, providing a rational mechanism to integrate different biochemical processes into one single enzyme. In this review, we summarize our recent efforts in this line and introduce our early work towards polymer degradation using a pluriZyme-like technology, including our latest development in PET nanoparticle degradation. Moreover, we provide a comprehensive recipe for developing one’s own pluriZyme so that different laboratories can experiment with them and establish new limits. With modest computational resources and with help from this review, your first pluriZyme is one step closer.https://www.mdpi.com/2673-4117/5/1/6pluriZymerational designactive siteprotein engineeringcomputational chemistry
spellingShingle Ana Robles-Martín
Sergi Roda
Rubén Muñoz-Tafalla
Victor Guallar
Behind the Scenes of PluriZyme Designs
Eng
pluriZyme
rational design
active site
protein engineering
computational chemistry
title Behind the Scenes of PluriZyme Designs
title_full Behind the Scenes of PluriZyme Designs
title_fullStr Behind the Scenes of PluriZyme Designs
title_full_unstemmed Behind the Scenes of PluriZyme Designs
title_short Behind the Scenes of PluriZyme Designs
title_sort behind the scenes of plurizyme designs
topic pluriZyme
rational design
active site
protein engineering
computational chemistry
url https://www.mdpi.com/2673-4117/5/1/6
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