Research Lab

(Bio)molecular Structure and Interactions by NMR

(Bio)molecular 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

Hall, JL; Sohail, A; Cabrita, EJ; Macdonald, C; Stockner, T; Sitte, HH; Angulo, J; MacMillan, F. 2020. Saturation transfer difference NMR on the integral trimeric membrane transport protein GltPh determines cooperative substrate binding. Scientific Reports, 10, DOI: 10.1038/s41598-020-73443-z
de Matos, AM; Blazquez-Sanchez, MT; Bento-Oliveira, A; de Almeida, RFM; Nunes, R; Lopes, PEM; Machuqueiro, M; Cristovao, JS; Gomes, CM; Souza, CS; El Idrissi, IG; Colabufo, NA; Diniz, A; Marcelo, F; Oliveira, MC; Lopez, O; Fernandez-Bolanos, JG; Datwyler, P; Ernst, B; Ning, K; Garwood, C; Chen, BN; Rauter, AP. 2020. Glucosylpolyphenols as Inhibitors of A beta-Induced Fyn Kinase Activation and Tau Phosphorylation: Synthesis, Membrane Permeability, and Exploratory Target Assessment within the Scope of Type 2 Diabetes and Alzheimer's Disease. JOURNAL OF MEDICINAL CHEMISTRY, 63, DOI: 10.1021/acs.jmedchem.0c00841
Oroz, J; Felix, SS; Cabrita, EJ; Laurents, DV. 2020. Structural transitions in Orb2 prion-like domain relevant for functional aggregation in memory consolidation. JOURNAL OF BIOLOGICAL CHEMISTRY, 295, DOI: 10.1074/jbc.RA120.015211
Macias-Leon, J; Bermejo, IA; Asin, A; Garcia-Garcia, A; Companon, I; Jimenez-Moreno, E; Coelho, H; Mangini, V; Albuquerque, IS; Marcelo, F; Asensio, JL; Bernardes, GJL; Joshi, HJ; Fiammengo, R; Blixt, O; Hurtado-Guerrero, R; Corzana, F. 2020. Structural characterization of an unprecedented lectin-like antitumoral anti-MUC1 antibody. CHEMICAL COMMUNICATIONS, 56, DOI: 10.1039/d0cc06349e
dos Santos, LM; Bernard, FL; Polesso, BB; Pinto, IS; Frankenberg, CC; Corvo, MC; Almeida, PL; Cabrita, E; Einloft, S. 2020. Designing silica xerogels containing RTIL for CO2 capture and CO2/CH4 separation: Influence of ILs anion, cation and cation side alkyl chain length and ramification. JOURNAL OF ENVIRONMENTAL MANAGEMENT, 268, DOI: 10.1016/j.jenvman.2020.110340