Filipa Margarida Barradas de Morais Marcelo
Assistant Researcher
Integrated Member
Research Group
Structural Molecular Biology
Faculdade de Ciências e Tecnologia, Universidade Nova de Lisboa Quinta da Torre, Caparica, Portugal, 2829-516, Almada, Portugal
212 948 300
- ext 11401
Research Interests
Domain of specializations:

Molecular Recognition;
glycan-protein molecular interactions;
NMR spectroscopy;
Molecular Modeling;
Organic Chemistry;

Present research interests:

- Molecular recognition of different ligands including glycans (glycopeptides, glycomimetics and glicolipids) by distinct biomolecular receptors (like proteins, enzymes, antibodies, virus-like particules) studied by ligand-based NMR tecniques (STD, trNOESY, DOSY etc...) and receptor-based NMR protocols (Chemical shift perturbation, relaxation measurements, etc).
- NMR measurements in ordered media.
- Determination of protein structure and dynamics in vitro using NMR.
- NMR-based strategies to directly probe glycosylation mechanisms and interactions in live cells.
- Molecular Modeling (ab initio and molecular dynamics simulations)
- NMR Binding studies assisted with biochemical and biophysical tecnhiques (SPR, Microarrays, ITC, DSC, DLS, Elisa etc...)

Main publications
1) The Quest for Anticancer Vaccines: Deciphering the Fine-Epitope Specificity for Cancer-Related Monoclonal Antibodies by Combining Microarray Screening and Saturation Transfer Difference NMR, H. Coelho, T. Matsushita, G. Artigas, H. Hinou, F. J. Cañada, R. Lo-Man, C. Leclerc, E. J. Cabrita, J. Jiménez-Barbero, S.-I. Nishimura, F. Garcia-Martín*, F. Marcelo*, J. Am. Chem. Soc. 2015, 137, 12438-12441. (corresponding author)

2) Beyond a Fluorescent Probe: Inhibition of Cell Division Protein FtsZ by mant-GTP elucidated by NMR and biochemical approaches. S. Huecas, F. Marcelo, L. B. Ruiz-Ávila, A. Morreale, F. J. Cañada, J. Jiménez-Barbero, J. M. Andreu, ACS Chem. Biol. 2015, 10, 2382-2392 (co-first author)

3) Detection of Tumor-Associated Glycopeptides by Lectins: The Peptide Context Modulates Carbohydrate Recognition. D. Madariaga, N. Martínez-Sáez, V. J. Somovilla, H. Coelho, J. Valero-González, J. Castro-López, J. L. Asensio, J. Jiménez-Barbero, J. H. Busto, A. Avenoza, F. Marcelo, R. Hurtado-Guerrero, F. Corzana, J. M. Peregrina, ACS Chem. Biol. 2015, 10, 747-756.

4) Delineating binding modes of Gal/GalNAc and structural elements of the molecular recognition of tumor-associated mucin glycopeptides by the human macrophage galactose-type lectin, F. Marcelo*, F. Garcia-Martin, T. Matsushita, J. Sardinha, H. Coelho, A. Oude-Vrielink, C. Koller, S. André, E. J. Cabrita, H.-J. Gabius, S.-I. Nishimura, J. Jiménez-Barbero, F. J. Cañada*, Chem. Eur. J. 2014, 20, 16147-16155. Highlighted as VIP by the Journal (corresponding author)

5) Exploiting the Therapeutic Potential of 8-ß-D-Glucopyranosylgenistein: Synthesis, Antidiabetic Activity and Molecular Interaction with IAPP and Aß1-42. A. R. Jesus, C. Dias, A. M. Matos, R. F. de Almeida, A. S. Viana, F. Marcelo, R. T. Ribeiro, M. P. Macedo, C. Airoldi, F. Nicotra, A. Martins, E. J. Cabrita, J. Jiménez-Barbero, A. P. Rauter, J. Med. Chem. 2014, 57, 9463-9472.

6) Interactions of bacterial cell-division protein FtsZ with C8-substituted guanine nucleotide inhibitors. A combined NMR, biochemical and molecular modeling perspective, F. Marcelo, S. Huecas, F. J. Cañada, L.B. Ruiz-Avila, A. Perona, A. Poveda, S. Martin-Santamaría, A. Morreale, J. Jiménez-Barbero, J. M. Andreu, J. Am. Chem. Soc., 2013, 135, 16418 - 16428. (co-first author)

7) Molecular Recognition of Rosmarinic Acid from Salvia sclareoides Extracts by Acethylcholinesterase. A New Binding Site Detected by NMR, F. Marcelo, C. Dias, A. Martins, P. J. Madeira,T. Jorge, M. H. Florêncio, F. J. Cañada, E. J. Cabrita, J. Jiménez-Barbero, A. P. Rauter, Chem. Eur. J. 2013, 19, 6641-6649.

8) Molecular Basis for Inhibition of GH84 Glycoside Hydrolases by Substituted Azepanes; Conformational Flexibility Enables Probing of Substrate Distortion, F. Marcelo, Y. He, S. A. Yuzwa, L. Nieto, J. Jiménez-Barbero, M. Sollogoub, D. J. Vocadlo, G. D. Davies, Y. Blériot J. Am. Chem. Soc. 2009, 131, 5390-5392.