Research Lab

(Bio)molecular Structure and Interactions by NMR

biomolecular structure and interactions by NMR
Research Interests

Our research interests are related to the study of intermolecular interactions in biological and chemical systems exploring as a main tool of study, solution state nuclear magnetic resonance (NMR) spectroscopy. Our main contributions are in the understanding of molecular recognition processes in different contexts:

(i) protein-ligand interactions in drug discovery;

(ii) solute-solvent interactions;

(iii) protein structure and dynamics

(iv) glycan structure and recognition.

Research Highlights
Molecular interactions studies to disclose how nature works at the atomic level


Structural Characterization of N-Linked Glycans in the Receptor Binding Domain of the SARS-CoV-2 Spike Protein and their Interactions with Human Lectins


NMR as unique and essential tool to characterize the N-linked glycans present on the receptor binding domain of the SARSCoV-2 spike protein and to disclose their interactions with human lectins. To know more see here.


highlight 2020

Representative Projects

  • Evaluation of ionic liquids for CO2 capture in exhaust gases”, PETROBRAS SA., Total and Unit funding: €110,000, Eurico Cabrita (PI).
  • “Advances into the Glycome: From a structural viewpoint to function in human health and disease”, IF/00780/2015, FCT-MCTES, Total and Unit funding: €50,000, Filipa Marcelo (PI).
  • “Advances in MUC1 Glycan Cancer Antigens: From structure to function in the fight against cancer”, FCT-MCTES, Total funding: €238,195, Unit funding: €176,266, Filipa Marcelo (PI).

Selected Publications

Felix, SS; Laurents, DV; Oroz, J; Cabrita, EJ. 2023. Fused in sarcoma undergoes cold denaturation: Implications for phase separation. PROTEIN SCIENCE, 32, DOI: 10.1002/pro.4521
Maria Pia Lenza; Leire Egia-Mendikute; Asier Antoñana-Vildosola; Cátia OSoares; Helena Coelho; Francisco Corzana; Alexandre Bosch; Prodhi Manisha; Jon Imanol Quintana; Iker Oyenarte; Luca Unione; María Jesús Moure; Mikel Azkargorta; Unai Atxabal; Klaudia Sobczak; Felix Elortza; James DSutherland; Rosa Barrio; Filipa Marcelo; Jesús Jiménez-Barbero; Asis Palazon; June Ereño-Orbea. 2023. Structural insights into Siglec-15 reveal glycosylation dependency for its interaction with T cells through integrin CD11b. Nature Communications, DOI: 10.1038/s41467-023-39119-8
Paiva, TG; Zanatta, M; Cabrita, EJ; Bernardes, CES; Corvo, MC. 2022. DMSO/IL solvent systems for cellulose dissolution: Binary or ternary mixtures?. JOURNAL OF MOLECULAR LIQUIDS, 345, DOI: 10.1016/j.molliq.2021.117810
Santos, T; Miranda, A; Imbert, L; Jardim, A; Caneira, CRF; Chu, V; Conde, JP; Campello, MPC; Paulo, A; Salgado, G; Cabrita, EJ; Cruz, C. 2022. Pre-miRNA-149 G-quadruplex as a molecular agent to capture nucleolin. EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES, 169, DOI: 10.1016/j.ejps.2021.106093
Coelho, Helena; Rivas, Matilde De Las; Grosso, Ana S.; Diniz, Ana; Soares, Cátia O.; Francisco, Rodrigo A.; Dias, Jorge S.; Compañon, Ismael; Sun, Lingbo; Narimatsu, Yoshiki; Vakhrushev, Sergey Y.; Clausen, Henrik; Cabrita, Eurico J.; Jiménez-barbero, Jesús; Corzana, Francisco; Hurtado-guerrero, Ramon; Marcelo, Filipa. 2022. Atomic and Specificity Details of Mucin 1 O-Glycosylation Process by Multiple Polypeptide GalNAc-Transferase Isoforms Unveiled by NMR and Molecular Modeling. JACS Au, DOI: 10.1021/jacsau.1c00529
Andres Manuel Gonzalez-Ramirez and Ana Sofia Grosso and Zhang Yang and Ismael Companon and Helena Coelho and Yoshiki Narimatsu and Henrik Clausen and Filipa Marcelo and Francisco Corzana and Ramon Hurtado-Guerrero. 2022. Structural basis for the synthesis of the core 1 structure by C1GalT1. Nature Communications, 13, DOI: 10.1038/s41467-022-29833-0
Maria, L; Bandeira, NAG; Marc, J; Santos, IC; Ferreira, ASD; Ascenso, JR. 2022. Experimental and Computational Study of a Tetraazamacrocycle Bis(aryloxide) Uranyl Complex and of the Analogues {E=U=NR}2+(E = O and NR). INORGANIC CHEMISTRY, DOI: 10.1021/acs.inorgchem.1c02934
Mota, C; Diniz, A; Coelho, C; Santos-Silva, T; Esmaeeli, M; Leimkuhler, S; Cabrita, EJ; Marcelo, F; Romao, MJ. 2021. Interrogating the Inhibition Mechanisms of Human Aldehyde Oxidase by X-ray Crystallography and NMR Spectroscopy: The Raloxifene Case. JOURNAL OF MEDICINAL CHEMISTRY, 64, DOI: 10.1021/acs.jmedchem.1c01125
Matilde de las Rivas, Helena Coelho, Ana Diniz, Erandi Lira-Navarrete, Ismael Compañón, Jesús Jiménez-Barbero, Katrine T. Schjoldager, Eric P. Bennett, Sergey Y. Vakhrushev, Henrik Clausen, Francisco Corzana, Filipa Marcelo, Ramon Hurtado-Guerrero. 2018. Structural analysis of a GalNAc‐T2 mutant reveals an induced‐fit catalytic mechanism for GalNAc‐Ts. Chemistry – A European Journal, 24, DOI: 10.1002/chem.201800701