(Bio)molecular Structure and Interactions by NMR
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.
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.
- 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).
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