Network models for the computational design of proficient enzymes

Publikacje

Enzyme Conformation Influences the Performance of Lipase-powered Nanomotors

Autorzy: Lei Wang; Marzia Marciello; Miquel Estévez-Gay; Paul Eduardo David Soto Rodriguez; Yurena Luengo Morato; Javier Iglesias-Fernández; Xin Huang; Sílvia Osuna; Sílvia Osuna; Marco Filice; Marco Filice; Samuel Sanchez
Opublikowane w: Angew. Chem. Int. Ed., Numer 1, 2020, ISSN 1433-7851
Wydawca: John Wiley & Sons Ltd.
DOI: 10.1002/anie.202008339

Exploring the Conversion of a d -Sialic Acid Aldolase into a l -KDO Aldolase

Autorzy: Adrian Romero-Rivera, Javier Iglesias-Fernández, Sílvia Osuna
Opublikowane w: European Journal of Organic Chemistry, Numer 2018/20-21, 2018, Strona(/y) 2603-2608, ISSN 1434-193X
Wydawca: John Wiley & Sons Ltd.
DOI: 10.1002/ejoc.201800103

Intrinsic enzymatic properties modulate the self-propulsion of micromotors

Autorzy: Xavier Arqué, Adrian Romero-Rivera, Ferran Feixas, Tania Patiño, Sílvia Osuna, Samuel Sánchez
Opublikowane w: Nature Communications, Numer 10/1, 2019, ISSN 2041-1723
Wydawca: Nature Publishing Group
DOI: 10.1038/s41467-019-10726-8

Regio‐ and Stereoselective Steroid Hydroxylation at C7 by Cytochrome P450 Monooxygenase Mutants

Autorzy: Aitao Li, Carlos G. Acevedo-Rocha, Lorenzo D'Amore, Jinfeng Chen, Yaqin Peng, Marc Garcia-Borràs, Chenghua Gao, Jinmei Zhu, Harry Rickerby, Sílvia Osuna, Jiahai Zhou, Manfred T. Reetz
Opublikowane w: Angew. Chem. Int. Ed, 2020, ISSN 1433-7851
Wydawca: John Wiley & Sons Ltd.
DOI: 10.1002/anie.202003139

Insights into the molecular determinants of thermal stability in halohydrin dehalogenase HheD2.

Autorzy: Julia Wessel; Giovanna Petrillo; Miquel Estévez-Gay; Sandra Bosch; Margarita Seeger; Willem P. Dijkman; Javier Iglesias-Fernández; Aurelio Hidalgo; Isabel Usón; Sílvia Osuna; Anett Schallmey
Opublikowane w: FEBS Journal, Numer 19, 2021, ISSN 1742-464X
Wydawca: Blackwell Publishing Inc.
DOI: 10.1111/febs.15777

Molecular Dynamics Simulations on Aspergillus niger Monoamine Oxidase: Conformational Dynamics and Inter‐monomer Communication Essential for Its Efficient Catalysis

Autorzy: Christian Curado-Carballada,FerranFeixas, and Sílvia Osuna
Opublikowane w: Adv. Synth. Catal, 2019, ISSN 1615-4150
Wydawca: John Wiley & Sons Ltd.
DOI: 10.1002/adsc.201900158

Conformational Landscapes of Halohydrin Dehalogenases and Their Accessible Active Site Tunnels

Autorzy: Miquel Estévez-Gay; Javier Iglesias-Fernández; Sílvia Osuna
Opublikowane w: Catalysts, Numer 13, 2020, ISSN 2073-4344
Wydawca: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/catal10121403

In Vivo Selection for Formate Dehydrogenases with High Efficiency and Specificity toward NADP +

Autorzy: Liliana Calzadiaz-Ramirez, Carla Calvó-Tusell, Gabriele M. M. Stoffel, Steffen N. Lindner, Sílvia Osuna, Tobias J. Erb, Marc Garcia-Borràs, Arren Bar-Even, Carlos G. Acevedo-Rocha
Opublikowane w: ACS Catalysis, Numer 10/14, 2020, Strona(/y) 7512-7525, ISSN 2155-5435
Wydawca: American Chemical Society
DOI: 10.1021/acscatal.0c01487

From the Design to the In Vivo Evaluation of Benzohomoadamantane-Derived Soluble Epoxide Hydrolase Inhibitors for the Treatment of Acute Pancreatitis.

Autorzy: Sandra Codony; Carla Calvó-Tusell; Elena Valverde; Sílvia Osuna; Christophe Morisseau; M. Isabel Loza; José Brea; Concepción Pérez; María Isabel Rodríguez-Franco; Javier Pizarro-Delgado; Javier Pizarro-Delgado; Rubén Corpas; Rubén Corpas; Christian Griñán-Ferré; Mercè Pallàs; Coral Sanfeliu; Coral Sanfeliu; Manuel Vázquez-Carrera; Manuel Vázquez-Carrera; Bruce D. Hammock; Ferran Fe
Opublikowane w: J. Med. Chem, Numer 10, 2021, ISSN 0022-2623
Wydawca: American Chemical Society
DOI: 10.1021/acs.jmedchem.0c01601

Discovery and in Vivo Proof of Concept of a Highly Potent Dual Inhibitor of Soluble Epoxide Hydrolase and Acetylcholinesterase for the Treatment of Alzheimer's Disease

Autorzy: Codony Gisbert, Sandra; Pont Masanet, Caterina; Griñán Ferré, Christian; Di Pede-Mattatelli, Ania; Calvó-Tusell, Carla; Feixas, Ferran; Osuna, Sílvia; Jarné-Ferrer, Júlia; Naldi, Marina; Bartolini, Manuela; Loza, María Isabel; Brea, José; Bartolini; Pérez, Belén; Bartra, Clara; Sanfeliu i Pujol, Coral; Juárez Jiménez, Jordi; Morisseau, Christophe; Hammock, Bruce D.; Pallàs i Lliberí
Opublikowane w: J. Med. Chem., Numer 3, 2022, ISSN 0022-2623
Wydawca: American Chemical Society
DOI: 10.1021/acs.jmedchem.1c02150

In Silico Identification and Experimental Validation of Distal Activity-Enhancing Mutations in Tryptophan Synthase.

Autorzy: Miguel A. Maria-Solano; Miguel A. Maria-Solano; Thomas Kinateder; Javier Iglesias-Fernández; Reinhard Sterner; Sílvia Osuna
Opublikowane w: ACS Catalysis, Numer 19, 2021, ISSN 2155-5435
Wydawca: American Chemical Society
DOI: 10.1021/acscatal.1c03950

Biocatalysis

Autorzy: Elizabeth L. Bell, William Finnigan, Scott P. France, Anthony P. Green, Martin A. Hayes, Lorna J. Hepworth, Sarah L. Lovelock, Haruka Niikura, Sílvia Osuna, Elvira Romero, Katherine S. Ryan, Nicholas J. Turner, Sabine L. Flitsch
Opublikowane w: Nature Reviews Methods Primers, 2021, ISSN 2662-8449
Wydawca: Nature Publishing Group
DOI: 10.1038/s43586-021-00044-z

Synthesis, In Vitro Profiling, and In Vivo Evaluation of Benzohomoadamantane-Based Ureas for Visceral Pain: A New Indication for Soluble Epoxide Hydrolase Inhibitors

Autorzy: Sandra Codony; José M. Entrena; Carla Calvó-Tusell; Beatrice Jora; Rafael González-Cano; Sílvia Osuna; Rubén Corpas; Christophe Morisseau; Belén Pérez; Marta Barniol-Xicota; Christian Griñán-Ferré; Concepción Pérez; María Isabel Rodríguez-Franco; Antón L. Martínez; M. Isabel Loza; Mercè Pallàs; Steven H. L. Verhelst; Coral Sanfeliu; Ferran Feixas; Bruce D. Hammock; José Brea; En
Opublikowane w: J. Med. Chem, Numer 8, 2022, ISSN 0022-2623
Wydawca: American Chemical Society
DOI: 10.1021/acs.jmedchem.2c00515

Deciphering the Allosterically Driven Conformational Ensemble in Tryptophan Synthase Evolution

Autorzy: Miguel A. Maria-Solano, Javier Iglesias-Fernández, Sílvia Osuna
Opublikowane w: Journal of the American Chemical Society, Numer 141/33, 2019, Strona(/y) 13049-13056, ISSN 0002-7863
Wydawca: American Chemical Society
DOI: 10.1021/jacs.9b03646

Inducing high activity of a thermophilic enzyme at ambient temperatures by directed evolution

Autorzy: Guangyue Li, Miguel A. Maria-Solano, Adrian Romero-Rivera, Sílvia Osuna, Manfred T. Reetz
Opublikowane w: Chemical Communications, Numer 53/68, 2017, Strona(/y) 9454-9457, ISSN 1359-7345
Wydawca: Royal Society of Chemistry
DOI: 10.1039/C7CC05377K

Role of Conformational Dynamics in the Evolution of Retro-Aldolase Activity

Autorzy: Adrian Romero-Rivera, Marc Garcia-Borràs, Sílvia Osuna
Opublikowane w: ACS Catalysis, Numer 7/12, 2017, Strona(/y) 8524-8532, ISSN 2155-5435
Wydawca: American Chemical Society
DOI: 10.1021/acscatal.7b02954

Exploring the origins of selectivity in soluble epoxide hydrolase from Bacillus megaterium

Autorzy: Eila Serrano-Hervás, Marc Garcia-Borràs, Sílvia Osuna
Opublikowane w: Organic & Biomolecular Chemistry, Numer 15/41, 2017, Strona(/y) 8827-8835, ISSN 1477-0520
Wydawca: Royal Society of Chemistry
DOI: 10.1039/C7OB01847A

Computational tools for the evaluation of laboratory-engineered biocatalysts

Autorzy: Adrian Romero-Rivera, Marc Garcia-Borràs, Sílvia Osuna
Opublikowane w: Chem. Commun., Numer 53/2, 2017, Strona(/y) 284-297, ISSN 1359-7345
Wydawca: Royal Society of Chemistry
DOI: 10.1039/C6CC06055B

Exploring the reversal of enantioselectivity on a zinc-dependent alcohol dehydrogenase

Autorzy: Miguel A. Maria-Solano, Adrian Romero-Rivera, Sílvia Osuna
Opublikowane w: Organic & Biomolecular Chemistry, Numer 15/19, 2017, Strona(/y) 4122-4129, ISSN 1477-0520
Wydawca: Royal Society of Chemistry
DOI: 10.1039/c7ob00482f

Epoxide Hydrolase Conformational Heterogeneity for the Resolution of Bulky Pharmacologically Relevant Epoxide Substrates

Autorzy: Eila Serrano-Hervás, Guillem Casadevall, Marc Garcia-Borràs, Ferran Feixas, Sílvia Osuna
Opublikowane w: Chemistry - A European Journal, Numer 24/47, 2018, Strona(/y) 12254-12258, ISSN 0947-6539
Wydawca: John Wiley & Sons Ltd.
DOI: 10.1002/chem.201801068

Role of conformational dynamics in the evolution of novel enzyme function

Autorzy: Miguel A. Maria-Solano, Eila Serrano-Hervás, Adrian Romero-Rivera, Javier Iglesias-Fernández, Sílvia Osuna
Opublikowane w: Chemical Communications, Numer 54/50, 2018, Strona(/y) 6622-6634, ISSN 1359-7345
Wydawca: Royal Society of Chemistry
DOI: 10.1039/c8cc02426j

Hidden Conformations in Aspergillus niger Monoamine Oxidase are Key for Catalytic Efficiency

Autorzy: Christian Curado-Carballada, Ferran Feixas, Javier Iglesias-Fernández, Sílvia Osuna
Opublikowane w: Angewandte Chemie International Edition, Numer 58/10, 2019, Strona(/y) 3097-3101, ISSN 1433-7851
Wydawca: John Wiley & Sons Ltd.
DOI: 10.1002/anie.201812532

2-Oxaadamant-1-yl Ureas as Soluble Epoxide Hydrolase Inhibitors: In Vivo Evaluation in a Murine Model of Acute Pancreatitis.

Autorzy: Sandra Codony; Eugènia Pujol; Javier G. Pizarro; Javier G. Pizarro; Ferran Feixas; Elena Valverde; M. Isabel Loza; José Brea; Elena Sáez; Julen Oyarzabal; Antonio Pineda-Lucena; Belén Pérez; Concepción Pérez; María Isabel Rodríguez-Franco; Rosana Leiva; Sílvia Osuna; Christophe Morisseau; Bruce D. Hammock; Manuel Vázquez-Carrera; Manuel Vázquez-Carrera; Santiago Vázquez
Opublikowane w: J. Med. Chem., Numer 11, 2020, ISSN 0022-2623
Wydawca: American Chemical Society
DOI: 10.1021/acs.jmedchem.0c00310

Mutational Analysis of Linalool Dehydratase Isomerase Suggests That Alcohol and Alkene Transformations Are Catalyzed Using Noncovalent Mechanisms

Autorzy: Anibal Cuetos, Javier Iglesias-Fernández, Hamid-Reza Danesh-Azari, Erna Zukic, Adam Dowle, Sílvia Osuna, Gideon Grogan
Opublikowane w: ACS Catalysis, Numer 10/19, 2020, Strona(/y) 11136-11146, ISSN 2155-5435
Wydawca: American Chemical Society
DOI: 10.1021/acscatal.0c02958

Pervasive cooperative mutational effects on multiple catalytic enzyme traits emerge via long-range conformational dynamics

Autorzy: Carlos G. Acevedo-Rocha; Aitao Li; Aitao Li; Lorenzo D’Amore; Sabrina Hoebenreich; Joaquin Sanchis; Paul Lubrano; Paul Lubrano; Matteo P. Ferla; Marc Garcia-Borràs; Sílvia Osuna; Manfred T. Reetz; Manfred T. Reetz; Manfred T. Reetz
Opublikowane w: Nature Communications, Numer 5, 2021, ISSN 2041-1723
Wydawca: Nature Publishing Group
DOI: 10.1101/2020.04.14.041590

Estimating conformational heterogeneity of tryptophan synthase with a template-based Alphafold2 approach

Autorzy: Guillem Casadevall; Cristina Duran; Miquel Estévez‐Gay; Sílvia Osuna
Opublikowane w: Prot. Sci., Numer 5, 2022, ISSN 1359-5040
Wydawca: Wiley-Blackwell
DOI: 10.1002/pro.4426

SBMOpenMM: A Builder of Structure-Based Models for OpenMM.

Autorzy: Martin Floor; Kengjie Li; Miquel Estévez-Gay; Luis Agulló; Pau Marc Muñoz-Torres; Jenn K. Hwang; Sílvia Osuna; Jordi Villà-Freixa; Jordi Villà-Freixa
Opublikowane w: J. Chem. Inf. Model., Numer 1, 2021, ISSN 1549-9596
Wydawca: American Chemical Society
DOI: 10.1021/acs.jcim.1c00122

Time Evolution of the Millisecond Allosteric Activation of Imidazole Glycerol Phosphate Synthase

Autorzy: Carla Calvó-Tusell; Miguel A. Maria-Solano; Sílvia Osuna; Ferran Feixas
Opublikowane w: J. Am. Chem. Soc., Numer 10, 2022, ISSN 0002-7863
Wydawca: American Chemical Society
DOI: 10.1021/jacs.1c12629

p38γ is essential for cell cycle progression and liver tumorigenesis

Autorzy: Antonia Tomás-Loba; Elisa Manieri; Elisa Manieri; Bárbara González-Terán; Alfonso Mora; Luis Leiva-Vega; Ayelén M Santamans; Rafael Romero-Becerra; Elena Rodríguez; Aránzazu Pintor-Chocano; Ferran Feixas; Juan Antonio López; Beatriz Caballero; Marianna Trakala; Oscar Blanco; Jorge L Torres; Lourdes Hernández-Cosido; Valle Montalvo-Romeral; Nuria Matesanz; Marta Roche-Molina; Juan A. Berna
Opublikowane w: Nature, Numer 15, 2019, ISSN 0028-0836
Wydawca: Nature Publishing Group
DOI: 10.1038/s41586-019-1112-8

The challenge of predicting distal active site mutations in computational enzyme design

Autorzy: Sílvia Osuna
Opublikowane w: WIREs Computational Molecular Science, 2020, ISSN 1759-0876
Wydawca: John Wiley & Sons Inc.
DOI: 10.1002/wcms.1502

Wyszukiwanie danych OpenAIRE...

Publikacje

Udostępnij tę stronę

Pobierz