Ramón y Cajal (RyC) Programme
Francesca Peccati obtained her BSc and MSc in Chemistry from the Università degli Studi di Torino and continued her scientific pursuits by completing her PhD in Chemistry from the Autonomous University of Barcelona (UAB), Spain.
In 2018, Dr. Peccati joined the laboratory of Prof. Dr. Contreras at the Chimie Théorique Sorbonne Université/CNRS where she developed a new method to obtain quick quantification of non-covalent interactions in biomolecular systems, implemented in the popular NCIPLOT program.
In 2020, Dr. Peccati became a postdoctoral researcher in the Computational Chemistry Lab at CIC bioGUNE. She was awarded a Juan de la Cierva (2021) and a Ramón y Cajal Fellowship (2023), and she currently holds the position of Emerging Scientist. Her primary research interests include protein design and engineering, biomolecular recognition, protein aggregation, and materials.
Awards & recognitions
Ramón y Cajal Fellowship (2023). Juan de la Cierva Fellowship (2021). Best Computational Chemistry Article Award from the Specialized Group in Chemistry and Computation (RSEQ) (2020). Extraordinary PhD Award from the Autonomous University of Barcelona (2019).
Relevant publications
- Eichenberger, M., Schwander, T., Hüppi, S., Kreuzer, J., Mittl, P. R. E., Peccati, F., Jiménez-Osés, G., Naesby, M. and Buller, R. M. The catalytic role of glutathione transferases in heterologous anthocyanin biosynthesis. Nat. Catal. 2023, 6, 927–938. https://doi.org/10.1038/s41929-023-01018-y
- Susanna Navarro, S., Díaz-Caballero, M., Peccati, F., Roldán-Martín, L., Sodupe, M., and Ventura, S.* Amyloid Fibrils Formed by Short Prion-Inspired Peptides Are Metalloenzymes. ACS Nano 2023, 17, 16968–16979. https://doi.org/10.1021/acsnano.3c04164
- Peccati, F.*, Alunno-Rufini, S., and Jiménez-Osés, G.* Accurate Prediction of Enzyme Thermostabilization with Rosetta Using AlphaFold Ensembles. J. Chem. Inf. Model. 2023, 63, 3, 898–909. https://doi.org/10.1021/acs.jcim.2c01083
Latest Publications
2023
2022
2021
Computational Chemical Biology is a cross-disciplinary area devoted to the accurate atomistic simulation of chemical and biochemical phenomena, from small-molecule reactions and recognition to protein folding, dynamics, and function. It is at the core of the structure-activity relationship and uses cutting edge technology and algorithms, from quantum mechanics to artificial intelligence.
Research line 1: Protein design and engineering
We use deep-learning models for backbone and sequence design, either to improve the properties of existing proteins related to metabolic diseases and biosensors, or to create new proteins de novo with tailored functions. Our approaches allow the design and experimental validation of enzymes for unnatural reactions, engineered antibodies and therapeutic protein binders with enhanced expression levels.
Research line 2: Bioorthogonal chemistry
We develop new concepts and methods based on fundamental chemical processes for the site-selective modification of proteins and antibodies, with strong emphasis on improving stability, bioavailability, and spatiotemporal control of therapeutic Antibody-Drug Conjugates (ADCs) with potential clinical applications.
Research line 3: Drug discovery
We use in silico tools to accelerate the discovery of small molecules, peptides, small proteins with therapeutic potential for neurodegenerative disorders, cancer, and infectious diseases.
Research line 4: Glycobiology
We provide detailed insights on the mechanisms of glycosylation processes and glycan recognition, developing methods for the structural modeling of complex glycoproteins and lectins.
Collaborations
Donald Hilvert (ETH Zürich), David Baker (University of Washington), Frances Arnold, Brian Stoltz (Caltech), Wilfred van der Donk (University of Illinois Urbana-Champaign), Yi Tang, Ken Houk (UCLA), A. Jean-Luc Ayitou (University of Illinois Chicago), Gonçalo Bernardes, (University of Cambridge), Rebecca Buller (ZHAW), Josiel Domingos (Federal University of Santa Catarina), Jesús Jiménez-Barbero, Óscar Millet, Joaquín Castilla, Asís Palazón, Juan Anguita, Alberto Fernández-Tejada, Malu Martínez-Chantar, Nicola Abrescia, Mikel Valle (CIC bioGUNE), Fernando López-Gallego (CIC biomaGUNE), Francisco Corzana (University of La Rioja), Antonio J Moreno-Vargas (University of Sevilla), José Luis Mascareñas, Eugenio Vázquez (USC-CIQUS).
Links
Webpage: http://www.gonzalojimenezoses.com
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Group Leader
Gonzalo Jiménez-Osés
Ikerbasque Research Professor POSTDOCTORAL RESEARCHER -
Claudio Daniel Navo Najera
TECHNICIANS / DOCTORAL CANDIDATES -
Sara Alunno Rufini
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Cristina María Segovia Martín
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Angel Torres Mozas
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Reyes Nuñez Franco
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Milagros Muriel Olaya
Members
Latest Publications
A Protein Misfolding Shaking Amplification-based method for the spontaneous generation of hundreds of bona fide prions.
Erana, Hasier; Sampedro-Torres-Quevedo, Cristina; Charco, Jorge M; Diaz-Dominguez, Carlos M; Peccati, Francesca; San-Juan-Ansoleaga, Maitena; Vidal, Enric; Goncalves-Anjo, Nuno; Perez-Castro, ...
Nature communications
2024-03-08
Dal Forno, Gean M; Latocheski, Eloah; Navo, Claudio D; Albuquerque, Brunno L; St John, Albert L; Avenier, Frederic; Jimenez-Oses, Gonzalo; Domingos, Josiel B;
Chemical science
2024-02-16
Improving Protein Expression, Stability, and Function with ProteinMPNN
Sumida, KH; Núñez-Franco, R; Kalvet, I; Pellock, SJ; Wicky, BIM; Milles, LF; Dauparas, J; Wang, J; Kipnis, Y; Jameson, N; Kang, AL; De La Cruz, J; Sankaran, B; Bera, AK; Jiménez-Osés, G; Baker, ...
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
2024-01-09
Experimental and Theoretical Analysis of the Thiol-Promoted Fragmentation of 2-Halo-3-tosyl-oxanorbornadienes
Carranza, M; Carmona, AT; Navo, CD; Robina, I; Fratta, S; Newburn, C; Jiménez-Osés, G; Moreno-Vargas, AJ;
ORGANIC LETTERS
2023-10-10
Merging the Isonitrile-Tetrazine (4+1) Cycloaddition and the Ugi Four-Component Reaction into a Single Multicomponent Process
Méndez, Y; Vasco, AV; Ivey, G; Dias, AL; Gierth, P; Sousa, BB; Navo, CD; Torres-Mozas, A; Rodrigues, T; Jiménez-Osés, G; Bernardes, GJL;
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
2023-09-20
Unraveling the Photophysical Characteristics, Aromaticity, and Stability of π-Extended Acene-Quinodimethyl Thioamides†
Yang, G; Yun, YJ; Peccati, F; Jamhawi, AM; Kamatham, N; Jockusch, S; Jiménez-Osés, G; Ayitou, AJL;
CHEMPHYSCHEM
2023-09-19
The catalytic role of glutathione transferases in heterologous anthocyanin biosynthesis
Eichenberger, M; Schwander, T; Hüppi, S; Kreuzer, J; Mittl, PRE; Peccati, F; Jimenez-Osés, G; Naesby, M; Buller, RM;
NATURE CATALYSIS
2023-08-31
Expanding the Substrate Scope of Acyltransferase LovD9 for the Biosynthesis of Statin Analogues
García-Marquina, G; Núñez-Franco, R; Grajales-Hernández, D; Jiménez-Osés, G; López-Gallego, F;
CHEMISTRY-A EUROPEAN JOURNAL
2023-06-05
Molecular Recognition of Glycan-Bearing Glycomacromolecules Presented at Membrane Surfaces by Lectins: An NMR View
Lete, MG; Hoffmann, M; Schomann, N; Martínez-Castillo, A; Peccati, F; Konietzny, PB; Delgado, S; Snyder, NL; Jiménez-Oses, G; Abrescia, NGA; Ardá, A; Hartmann, L; Jiménez-Barbero, J;
ACS OMEGA
2023-05-03
Expanding Transition Metal-Mediated Bioorthogonal Decaging to Include C-C Bond Cleavage Reactions
Dal Forno, GM; Latocheski, E; Machado, AB; Becher, J; Dunsmore, L; St John, AL; Oliveira, BL; Navo, CD; Jiménez-Osés, G; Fior, R; Domingos, JB; Bernardes, GJL;
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
2023-05-03
Highly Diastereoselective Multicomponent Synthesis of Spirocyclopropyl Oxindoles Enabled by Rare-Earth Metal Salts
Tallarida, MA; Olivito, F; Navo, CD; Algieri, V; Jiritano, A; Costanzo, P; Poveda, A; Moure, MJ; Jiménez-Barbero, J; Maiuolo, L; Jiménez-Osés, G; De Nino, A;
ORGANIC LETTERS
2023-04-26
Molecular dynamics simulations reveal the impact of NUDT15 R139C and R139H variants in structural conformation and dynamics
Gómez-Rubio, E; Garcia-Marin, J;
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
2023-03-04
Synthesis of Fluorescent Lanthipeptide Cytolysin S Analogues by Late-Stage Sulfamidate Ring Opening
Mazo, N; Rahman, IR; Navo, CD; Peregrina, JM; Busto, JH; van der Donk, WA; Jiménez-Osés, G;
ORGANIC LETTERS
2023-02-27
Iridium-Catalyzed ortho-Selective Borylation of Aromatic Amides Enabled by 5-Trifluoromethylated Bipyridine Ligands
Marcos-Atanes, D; Vidal, C; Navo, CD; Peccati, F; Jiménez-Osés, G; Mascareñas, JL;
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
2023-01-24
Accurate Prediction of Enzyme Thermostabilization with Rosetta Using AlphaFold Ensembles
Peccati, F; Alunno-Rufini, S; Jiménez-Osés, G;
JOURNAL OF CHEMICAL INFORMATION AND MODELING
2023-01-16
Structures of the Inhibitory Receptor Siglec-8 in Complex with a High-Affinity Sialoside Analogue and a Therapeutic Antibody
Lenza, MP; Atxabal, U; Nycholat, C; Oyenarte, I; Franconetti, A; Quintana, JI; Delgado, S; Núñez-Franco, R; Marroquin, CTG; Coelho, H; Unione, L; Jiménez-Oses, G; Marcelo, F; Schubert, M; Paulson, ...
JACS AU
2022-12-23
NMR Investigation of Protein-Carbohydrate Interactions: The Recognition of Glycans by Galectins Engineered with Fluorotryptophan Residues
Lete, MG; Franconetti, A; Bertuzzi, S; Delgado, S; Azkargorta, M; Elortza, F; Millet, O; Jiménez-Osés, G; Arda, A; Jiménez-Barbero, J;
CHEMISTRY-A EUROPEAN JOURNAL
2022-12-12
Conformationally Restricted β-Sheet Breaker Peptides Incorporating Cyclic α-Methylisoserine Sulfamidates
Mazo, N; Navo, CD; Peccati, F; Andreo, J; Airoldi, C; Goldsztejn, G; Çarçabal, P; Usabiaga, I; Sodupe, M; Wuttke, S; Busto, JH; Peregrina, JM; Cocinero, EJ; Jiménez-Osés, G;
CHEMISTRY-A EUROPEAN JOURNAL
2022-12-27
Protoglobin-Catalyzed Formation of cis-Trifluoromethyl-Substituted Cyclopropanes by Carbene Transfer
Schaus, L; Das, A; Knight, AM; Jimenez-Osés, G; Houk, KN; Garcia-Borràs, M; Arnold, FH; Huang, XY;
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
2022-12-19
Regioselective Synthesis and Molecular Docking Studies of 1,5-Disubstituted 1,2,3-Triazole Derivatives of Pyrimidine Nucleobases
Algieri, V; Costanzo, P; Tallarida, MA; Olivito, F; Jiritano, A; Fiorani, G; Peccati, F; Jiménez-Osés, G; Maiuolo, L; De Nino, A;
MOLECULES
2022-12-01