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EXTENDED PROGRAMME

Wednesday 10 June

Session I. Imaging | Carbohydrates Chair: Nick Westwood

09:00-09:15 Opening and Welcome 09:15-10:00 Plenary Lecture 1: Glycoconjugate vaccines: opportunities and

challenges for synthetic oligosaccharides Claney L. Pereira Max Planck Institute, Germany, p. 21

10:00-10:45 Plenary Lecture 2: Molecular imaging probes based on lanthanide complexes Éva Tóth CNRS Orléans, France, p. 22

10:45-11:05 Coffee break 11:05-11:25 Oral 1: Conjugates of metal complexes to Pittsburg compound B

as MRI markers of Aβ-amyloid deposits: in vitro and in vivo studies Carlos Geraldes Universidade Coimbra, Portugal, p. 39

11:25-11:45 Oral 2: Radiometalated L-arginine derivatives for tumor imaging João Correia Instituto Superior Técnico-UL, Portugal, p. 40

11:45-12:05 Oral 3: Rational design of α-helix stabilized Exendin-4 analogues András Perczel Eötvös Loránd University, Hungary, p. 41

12:05-12:25 Oral 4: Molecular recognition of tumor-associated MUC1 peptides by their specific receptors: lectins and antibodies Filipa Marcelo UCIBIO-NOVA, Portugal, p. 42

12:25-12:45 Oral 5: A multi-disciplinary study of the cellulosome assembly Benedita Pinheiro UCIBIO-NOVA, Portugal, p. 43

12:45-14:00 Lunch

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Wednesday 10 June

Session II. Protein Structure and Function Chair: Andrea Mattevi

14:00-14:45 Plenary Lecture 3: Molecular Recognition at Protein Surfaces Ernest Giralt Institute for Research in Biomedicine, Spain, p. 23

14:45-15:15 Invited Lecture 1: Neurometals as modulators of protein aggregation in neurodegenerative diseases Cláudio Gomes Faculty of Sciences-UL, Portugal, p. 31

15:15-15:35 Oral 6: Endogenous inhibitors of amyloid-beta degradation: structural and functional aspects Francesco Bellia Institute of Biostructure and Bioimaging, Italy, p. 44

15:35-15:55 Oral 7: Transmembrane signaling through a bacterial heme transporter Muriel Delepierre Institut Pasteur, France, p. 45

15:55-16:15 Oral 8: Molecular mechanism of Heme-responsive transcriptional regulation in Lactococcus lactis Shigetoshi Aono Okazaki Institute for Integrative Bioscience, Japan, p. 46

16:15-16:45 Coffee break

Session II. Protein Structure and Function Chair: Luc Brunsveld

16:45-17:15 Invited Lecture 2: Computational studies addressed to periplasmic nitrate reductase and formate dehydrogenase. Why similar molecular architectures have very different enzymatic activities? Nuno Cerqueira UCIBIO, Universidade do Porto, Portugal, p. 32

17:15-17:35 Oral 9: Mechanism of iron uptake and transfer from ceruloplasmin to Human serum transferrin Nguyet-Thanh Ha-Duong Université Paris Diderot Sorbonne, France, p. 47

17:35-17:55 Oral 10: Redirecting iron pathways in the ferritin nanocage Caterina Bernacchioni CERM, Italy, p. 48

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Wednesday 10 June

17:55-18:15 Oral 11: Human Cofilin2: towards the comprehension of the molecular mechanism Giulia Di Rocco University of Modena and Reggio Emilia, Italy, p. 49

18:15-18:35 Oral 12: Structural duality in peptides derived from choline binding repeats M. Angeles Jimenez Instituto de Química Física Rocasolano Spain, p. 50

18:35-18:55 Oral 13: Discerning the nature of ionic liquids/protein interactions and their repercussions in protein denaturation Eurico Cabrita UCIBIO-NOVA, Portugal, p. 51

Short Oral Presentations Chair: Maria Manuel Marques

18:55-19:15 Short Oral 1: Structural insights into an unique periplasmic aldehyde oxidoreductase from Escherichia coli Márcia Correia, UCIBIO-NOVA, Portugal, p. 69 P11

Short Oral 2: Marinobacter hydrocarbonoclasticus MreB: a biochemical and structural characterization Rui Almeida UCIBIO-NOVA, Portugal, p. 70

19:15-21:00 Welcome Reception

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Thursday 11 June

Session II. Protein Structure and Function Chair: Muriel Delepierre

09:00-09:45 Plenary Lecture 4: Intrinsically disordered proteins - New advances Peter Tompa Structural Biology Research Center, Belgium, p. 24

09:45-10:15 Invited Lecture 3: AMT Proteins: channels, transporters or sensors? Susana Andrade Albert-Ludwigs University Freiburg, Germany, p. 33

10:15-10:35 Oral 14: The CHAP domain of Twort endolysin specifically targets Staphylococcus aureus Jorge Dias UCIBIO-NOVA, Portugal, p. 52

10:35-10:55 Oral 15: Design and synthesis of selective glycomimetic antagonists of DC-SIGN Anna Bernardi Universita’ degli Studi di Milano, Italy, p. 53

10:55-11:25 Coffee break 11:25-12:40 Poster Session 12:40-14:00 Lunch

Session III. Medicinal Chemistry | Chemical Biology Chair: Antonello Mai

14:00-14:45 Plenary Lecture 5: On the molecular mechanisms of chromatin modification Andrea Mattevi University of Pavia, Italy, p. 25

14:45-15:30 Plenary Lecture 6: Targeting Epigenetic Reader Proteins using Chemical Biology Stuart Conway University of Oxford, UK, p. 26

15:30-16:00 Invited Lecture 4: Novel small molecules with in vitro antitumor activity via inhibition of p53-MDM2 interaction Maria Santos iMed.ULisboa, Portugal, p. 34

16:00-16:20 Oral 17: Chemical biology approaches to elucidate nuclear receptor structural modulation Lucas Brunsveld Technische Universiteit Eindhoven, Netherlands, p. 54

16:20-16:50 Coffee break

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Thursday 11 June

Session III. Medicinal Chemistry | Chemical Biology Chair: Pedro Góis

16:50-17:10 Oral 17: In vitro and in vivo studies in type 2 diabetic GK rats to assess the therapeutic properties of VO(dmpp)2 Margarida Castro University of Coimbra, Portugal, p. 55

17:10-17:30 Oral 18: Unusual 8-hydroxyquinoline-cyclodextrin conjugates hold promise as antioxidant and antiaggregant chelators Valentina Oliveri Università degli Studi di Catania, Italy, p. 56

17:30-17:50 Oral 19: Novel inorganic chemotherapeutics for cancer treatment Chiara Nardon University of Padova, Italy, p. 57

17:50-18:10 Oral 20: Developing novel chemical tools Nick Westwood University of St. Andrews, UK, p. 58

Short Oral Presentations Chair: Susana Andrade

18:10-18:30 Short Oral 3: NMR studies on the Cd(II) interaction with a three

way junction serving as RNA folding control element Simona Bartova University of Zurich, Switzerland, p. 71

Short Oral 4: Confirmation of the HDV-like secondary structure of the CPEB3 ribozyme in solution and investigation of the role of Mg2+ in folding Kenneth Adea University of Zurich, Switzerland, p. 72

18:30-19:00 Poster Presentation 1: Characterization of trypsin-like serine protease inhibitors by X-ray crystallography and enzymatic assays Hugo Correia UCIBIO-NOVA, Portugal, p. 90 P10

Poster Presentation 2: Novel synthesis methods of peptide-6-amino-D-luciferin conjugates for detection of protease activity Anita Kovács University of Szeged, Hungary, p. 105 P26

Poster Presentation 3: Proline derivatives of different metals: from design and synthesis to preliminary biological studies Leonardo Brustolin University of Padova, Italy, p. 84 P4

Poster Presentation 4: Androgen receptor aggregates in vitro and in a transgenic mouse model of SBMA Bahareh Eftekharzadeh IRB Barcelona, Spain, p. 97 P18

20:00 BUS LEAVES TO THE CONFERENCE DINNER

20:30-23:00 Conference Dinner - Espaço Espelho D'Água

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Friday 12 June

Session IV. Nucleic Acids Chair: Carlos Geraldes

09:00-09:45 Plenary Lecture 7: Functional nucleic acids for RNA ligation and labeling Claudia Höbartner Max Planck Institute, Germany, p. 27

09:45-10:15 Invited Lecture 5: Interaction of metal complexes with DNA: From Z-DNA to photodynamic therapy Bernhard Spingler University of Zurich, Switzerland, p. 35

10:15-10:35 Oral 21: A general strategy to introduce pH-induced allostery in DNA-based receptors to achieve controlled release of ligands Alessandro Porchetta University of Rome, Italy, p. 59

10:35-10:55 Oral 22: RNA mediated RNA recombination: RNA world activity, repair and functionalization Sabine Muller Ernst Moritz Arndt University Greifswald, Germany, p. 60

10:55-11:15 Coffee break

11:15-11:35 Oral 23: Probing G-quadruplex folding and ligand interaction in living cells using NMR spectroscopy Gilmar Salgado Univ. Bordeaux, France, p. 61

11:35-12:45 Poster Session 12:45-14:00 Lunch

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Friday 12 June

Session V. (Nano)Biotechnology Chair: Cristina Silva Pereira

14:00-14:45 Plenary Lecture 8: Synergies between affinity biomimetics and magnetic nanoparticles Cecília Roque UCIBIO-NOVA, Portugal, p. 28

14:45-15:05 Oral 24: Gold-nanobeacons for targeted gene silencing Pedro Baptista UCIBIO-NOVA, Portugal, p. 62

15:05-15:25 Oral 25: Acid-degradable polysaccharide nanoparticles for the delivery of biotherapeutics Peter Wich Johannes Gutenberg-Universität Mainz, Germany, p. 63

15:25-15:45 Oral 26: Gold nanoparticulate systems for new anticancer compounds delivery Alexandra Fernandes UCIBIO-NOVA, Portugal, p. 64

15:45-16:05 Oral 27: Protein-soft nanoparticles association equilibria: recognition and dynamics Michael Assfalg University of Verona, Italy, p. 65

16:05-16:25 Oral 28: Innovative approaches for drug delivery and antiobiotic resistance Luís Branco LAQV-NOVA, Portugal, p. 66

16:25-16:50 Coffee break

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Friday 12 June

Session VI. Short Oral Presentations Chair: Teresa Santos-Silva

16:50-17:10 Short Oral 5: DNA Methyltransferase activity detection using the personal glucose meter Zhigiang Gao National University of Singapore, Singapore, p. 73

Short Oral 6: Characterization of proteins involved in a cell division system of anaerobic bacteria Olga Mestre UCIBIO-NOVA, Portugal, p. 74 P32

17:10-18:20 Poster Presentation 5: Effect of pH on the denitrification pathway of Marinobacter hydrocarbonoclasticus and nitrous oxide reductase Cíntia Carreira UCIBIO-NOVA, Portugal, p. 86 P6

Poster Presentation 6: Molybdenum and tungsten: from the membrane transporters to the enzymes Ana Rita Cardoso UCIBIO-NOVA, Portugal, p. 85 P5

Poster Presentation 7: E. coli and Neisseria gonorrhoeae Cytochrome c Peroxidases – Biochemical insights into two distinct oxidative stress enzymes Cláudia Nóbrega UCIBIO-NOVA, Portugal, p. 110 P31

Poster Presentation 8: Targeting aquaglyceroporin-3 with gold(III) anticancer compounds Andreia de Almeida University of Groningen, Netherlands, p. 94 P15

Poster Presentation 9: Structural characterization of VIVO(carrier)2-Protein Adducts – New perspectives on vanadium interactions with lysozyme, trypsin and transferrin Marino Santos UCIBIO-NOVA, Portugal, p. 120 P42

Poster Presentation 10: WW domains as Small scaffolds with novel biotechnological applications Ana Dias UCIBIO-NOVA, Portugal, p. 96 P17

Poster Presentation 11: Rational design of pH-dependent DNA switches to control DNA-based reactions and assembly and disassembly of DNA polymers Andrea Idili University of Rome, Italy, p. 102 P23

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Poster Presentation 12: Interpretation of metalloproteases

function through their internal dynamics: evolution and classification insights Henrique Carvalho UCIBIO-NOVA, Portugal, p. 87 P7

Poster Presentation 13: Nanosystems for MRI cell labeling using magnetism, biopolymers and pH sensitive bio-coatings Susana Palma UCIBIO-NOVA, Portugal, p. 114 P36

Poster Presentation 14: Luminogenic acridinium tests Justyna Czechowska-Kryszk Uniwersytet Gdański, Poland, p. 93 P14

18:20-18:40 Closing Session - Departure

37

ORAL COMMUNICATIONS

40

Radiometalated L-Arginine Derivatives for Tumor Imaging

João D. G. Correia1, Vera F. C. Ferreira1, Filipa Mendes1, Paula Raposinho1, Isabel

Santos1 Maurício Morais1,2, Bruno L. Oliveira1,3

1Centro de Ciências e Tecnologias Nucleares, Instituto Superior Técnico, Universidade de Lisboa, Estrada Nacional 10 (ao km 139,7), 2695-066 Bobadela LRS, Portugal. 2Department of Chemistry, University College London, 20 Gordon Street, London, WC1H 0AJ, UK. 3Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, UK.

jgalamba@ctn.ist.utl.pt

Keywords: amino acid transporters, cancer, imaging, nitric oxide synthase,

technetium

Radiolabeled amino acids have been proposed as imaging agents for certain tumors [1,2].

Although most of them target the “L amino acid transport system” that preferentially

transports amino acids with bulky neutral side chains, there has been interest in the design of

tracers for targeting cationic amino acid transporters [1,2]. The transport of L-Arg, L-Lys and L-

His is mediated by the cationic amino acid transporter family (CAT, system y+), system y+L,

bo,+AT and ATB0,+ [3]. L-Arg is the precursor for relevant metabolic pathways and an important

signaling molecule, regulating various cellular functions [3]. The biological relevance of L-Arg

together with the fact that certain cancer cells overexpress cationic amino acid transporters

suggest that radiolabeled L-Arg derivatives hold great potential for cancer imaging [3-5].

In our previous efforts concerning the targeting of inducible Nitric Oxide Synthase (NOS) for

visualization of NO/NOS-related tumors (via SPECT imaging) we have introduced complexes of

the type fac-[M(CO)3(ĸ3-L)]+ (M = 99mTc/Re) with pendant L-Arg derivatives (L) [6,7]. Some

complexes present remarkable accumulation in cancer cell lines, which is inhibited by L-Lys.

Moreover, complexes with pendant Nω-NO2-L-Arg moieties are not taken up by those cancer

cells, suggesting the involvement of system y+ in the transport of the L-Arg-containing

complexes. In this communication we will describe the (radio)synthesis and characterization

of the complexes, as well as the preliminary biological assays performed to unveil their cellular

uptake mechanism.

Acknowledgments: This work was partially supported by the Fundação para a Ciência e

Tecnologia (FCT), Portugal, through projects PTDC/QUI-QUI/121752/2010, EXCL/QEQ-

MED/0233/2012 and grant UID/Multi/04349/2013 to C2TN/IST. FCT is also acknowledged for

PhD fellowships (SFRH/BD/38753/2007 to B. L. Oliveira and SFRH/BD/48066/2008 to M

Morais) and FCT Investigator grant to F. Mendes.

1. Huang C. et al. (2013). J. Nucl. Med., 54:1007-1010. 2. Sai K. K. S. et al. (2013). J. Nucl. Med., 54:1120-1126. 3. Closs E. I. et al. (2004). J. Nutr. 134:2752S-2759S. 4. Karunakaran S. et al. (2011). J. Biol. Chem. 286:31830-31838. 5. Lu Y. et al. (2013) Plos One 8(9):e73866. 6. Oliveira B. L. et al. (2011). J. Organomet. Chem. 696:1057-1065. 7. Oliveira B. L. et al (2010). Bioconjugate Chem. 21:2168-2172.