About
11
Publications
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Introduction
Current institution
Current position
- PostDoc Position
Additional affiliations
September 2018 - April 2022
Position
- PhD Student
Description
- Macromolecular crystallography of protein-bioinorganic compounds complexes.
September 2007 - August 2008
Position
- Postgraduate training
Description
- High field NMR structural determination of proteins-Protein expression and purification.
Education
September 2018 - November 2021
January 2007 - July 2007
September 2005 - January 2007
Publications
Publications (11)
In this study we propose a novel rapid and efficient way to predict carbonates content in soil by means of Fourier Transform Near-Infrared (FT-NIR) reflectance spectroscopy and by use of deep learning methods. In addition to using traditional machine learning algorithms, we exploited multiple deep learning methods, such as: 1) a Multi-Layered Perce...
Soil NIR spectral absorbance/reflectance libraries are utilized towards improving agricultural production and analysis of soil properties which are key prerequisite for agroecological balance and environmental sustainability. Carbonates in particular, represent a soil property which is mostly affected even by mild, let alone extreme, changes of env...
Insulin-Regulated aminopeptidase (IRAP) is a zinc-dependent aminopeptidase with several important biological functions and is an emerging pharmaceutical target for cognitive enhancement and immune system regulation. Aiming to discover lead-like IRAP inhibitors with enhanced selectivity versus homologous enzymes, we targeted an allosteric site at th...
The high-resolution X-ray crystal structures of the adducts formed between the “half sandwich”-type Ru(II) coordination compound [RuII(1,4,7-trithiacyclononane)(ethane-1,2-diamine)Cl]+ and two proteins, namely hen egg-white lysozyme and proteinase K, are presented. The structures unveil that upon reaction with both enzymes the Ru(II) compound is co...
Glutathione transferases (GSTs) are enzymes that contribute to cellular detoxification by catalysing the nucleophilic attack of glutathione (GSH) on the electrophilic centre of a number of xenobiotic compounds, including several chemotherapeutic drugs. In the present work we investigated the interaction of the chemotherapeutic drug chlorambucil (CB...
Fo-Fc electron density map contoured at 2.7σ showing electron density corresponding to bound GSH–CBL, superimposed on refined crystal structure.
(TIF)
Root mean square deviations (RMSD) of GSH (black curve) and CBL moiety (red curve) atomic positions as a function of MD simulation time. Top graph is for monomer A and bottom graph is for monomer B.
(TIF)
Root mean square fluctuation (RMSF) of GST A1-1 Cα atoms calculated for the GSH (black) and the GSH–CBL (red) complexes from 10-ns molecular dynamics. The graph shows the mean RMSF value from the two monomers.
(TIF)
The glutathione transferases (GSTs) are detoxification enzymes that protect the cell from a wide range of potentially harmful electrophilic compounds [1]. Although this action of GSTs protects the organism from harmful environmental toxins, it results also in neutralization of certain therapeutic drugs such as chlorambucil, an anti-cancer drug used...
