A5003520626- Metal complexes synthesis and properties
- Magnetism in coordination complexes
- Nitric Oxide and Endothelin Effects
- Lanthanide and Transition Metal Complexes
- Metal-Catalyzed Oxygenation Mechanisms
- Porphyrin and Phthalocyanine Chemistry
- Protein Structure and Dynamics
- Crystallization and Solubility Studies
- Carbohydrate Chemistry and Synthesis
- Electrochemical sensors and biosensors
- Glycosylation and Glycoproteins Research
- X-ray Diffraction in Crystallography
- Advanced Nanomaterials in Catalysis
- Polymer Surface Interaction Studies
- Chemical Synthesis and Reactions
- Neutrophil, Myeloperoxidase and Oxidative Mechanisms
- Electrochemical Analysis and Applications
- Molecular Sensors and Ion Detection
- Chemical Synthesis and Analysis
- Asymmetric Hydrogenation and Catalysis
- Computational Drug Discovery Methods
- Cancer-related gene regulation
- HIV/AIDS drug development and treatment
- Surface Modification and Superhydrophobicity
- Synthesis and biological activity
University of Copenhagen
2022
Universidade Federal do Triângulo Mineiro
2019-2020
Universidade Federal da Bahia
2011-2019
Scuola Internazionale Superiore di Studi Avanzati
2019
Universidade de São Paulo
2000-2016
University of Milan
2011-2015
Mylan (Switzerland)
2015
Universidade de Ribeirão Preto
2006-2014
Universidade Estadual de Campinas (UNICAMP)
2008
DC-SIGN and Langerin are two C-type lectins involved in the initial steps of HIV infections: former acts as a viral attachment factor facilitates invasion immune system, latter has protective effect. Potential antiviral compounds targeted against were synthesized using common fucosylamide anchor. Their affinity was tested by SPR found to be similar that natural ligand Lewis-X (LeX). The also selective for interact only weakly with Langerin. These molecules potentially useful therapeutic...
Ruthenium complexes including nitrosyl or nitrite are particularly interesting because they can not only scavenge but also release nitric oxide in a controlled manner, regulating the NO-level vivo. The judicious choice of ligands attached to [RuNO] core has been shown be suitable strategy modulate NO reactivity these complexes. In order understand influence different equatorial on electronic structure Ru-NO chemical bonding, and thus coordinated NO, we propose an investigation nature bond by...
In this work, we have studied in detail the binding of two α-fucosylamide-based mimics LewisX to DC-SIGN ECD (ECD = extracellular domain) using STD NMR and docking. We concluded that mode occurs mainly through fucose moiety, same way as LewisX. Similarly other containing mannose or previously studied, shown both compounds bind a multimodal fashion. case, main contact is interaction hydroxyl groups one equatorial axial (O3 O4) with Ca2+ similarly mannose-containing (in case interacting are...
Calculated energy profile (kcal mol<sup>−1</sup>) for linkage isomers relative to the ground state structure (GS)<bold>1a</bold>prior monoelectronic reduction.
We report a first set of peptidomimetic ligands mimicking the adhesive interface identified by recent crystallographic structures E- and N-cadherin. Compounds 2 3 inhibit adhesion epithelial ovarian cancer (EOC) cells with improved efficacy compared to ADH-1 peptide, N-cadherin antagonist that is in early clinical trials EOC patients.
Chemical reactivity, photolability, and computational studies of the ruthenium nitrosyl complex with a substituted cyclam, fac-[Ru(NO)Cl2(κ3N4,N8,N11(1-carboxypropyl)cyclam)]Cl·H2O ((1-carboxypropyl)cyclam = 3-(1,4,8,11-tetraazacyclotetradecan-1-yl)propionic acid)), (I) are described. Chloride ligands do not undergo aquation reactions (at 25 °C, pH 3). The rate nitric oxide (NO) dissociation (kobs-NO) upon reduction I is 2.8 s−1 at ± 1 °C (in 0.5 mol L−1HCl), which close to highest value...
The nature of the Ru–NO interaction before and after reduction <italic>cis</italic>-[Ru(NO)(NO<sub>2</sub>)L<sub>1–4</sub>]<sup>q</sup> complexes is modulated by coordination environment metallic center, resulting in more labile on with weak π-acceptor ligands.
The complex fac-[Ru(NO)Cl2(kappa(3)N(4),N(8),N(11)(1-carboxypropyl)cyclam)]Cl.H2O (1-carboxypropyl)cyclam=3-(1,4,8,11-tetraazacyclotetradecan-1-yl)propionic acid) was prepared in a one pot reaction by mixing equimolar amounts of RuNOCl 3 and (1-carboxypropyl)cyclam characterized X-ray crystallography, electrospray ionization tandem mass spectrometry (ESI-MS/MS), elemental analysis, NMR, electronic vibrational (IR) spectroscopies. fac-[Ru(NO)Cl...
Natural N-glycosylation involves a β-anomeric linkage connecting the sugar to one asparagine residue of protein. We herein report NMR- and modelling-based data on glycomimetics containing α-glycosidic linkages. The bioactivity α-Gal-containing glycopeptides has been documented by revealing binding two plant lectins, i.e. potent β-trefoil toxin (Viscum album agglutinin) β-sandwich lectin (Erythrina corallodendron agglutinin), NMR protocols. Docking provided insights into 3D structures...
Surface coating of metallic materials using the sol-gel technique is a suitable approach to obtain hybrid with improved properties for biomedical applications. In this study, an AISI 316L stainless steel surface was coated ormosils prepared from tetraethylsiloxane and 3-glycidoxypropyltrimethoxysilane or polydimethylsiloxane. The characterization structural performed by several techniques. microstructure, morphology, energy are dependent on organosilane type content. Chemical stability...
Three-dimensional domain swapping is an important mode of protein association leading to the formation stable dimers. Monomers associating via this mechanism mutually exchange a form homodimer. Classical cadherins, increasingly target for anticancer therapy, use mediate cell adhesion. However, despite its importance, molecular still debated. Here, we study conformational changes that lead activation and dimerization E-cadherin. Using state-of-the-art enhanced sampling atomistic simulations,...