E. Boura

Drug Discovery in Low Data Regimes: Leveraging a Computational Pipeline for the Discovery of Novel SARS-CoV-2 Nsp14-MTase Inhibitors

This paper introduces a computational pipeline for identifying SARS-CoV-2 nsp14 inhibitors using virtual screening, identifying seven candidates including NSC620333 and SS148, with experimental validation of binding affinity and structural insights.

Structural elucidation of recombinant Trichomonas vaginalis 20S proteasome bound to covalent inhibitors

This study determines the cryo-EM structures of recombinant Trichomonas vaginalis 20S proteasome bound to covalent inhibitors, revealing their binding modes and explaining inhibitor specificity.

Coordination of transporter, cargo, and membrane properties during non-vesicular lipid transport.

The paper investigates how lipid transporters, cargo, and membrane properties coordinate during non-vesicular lipid transport in yeast.

Development of subunit selective substrates for Trichomonas vaginalis proteasome

The paper develops three subunit-specific fluorogenic substrates for the T. vaginalis proteasome and identifies effective inhibitor targets.

The structure of monkeypox virus 2'-O-ribose methyltransferase VP39 in complex with sinefungin provides the foundation for inhibitor design

The paper determines the crystal structure of MPXV VP39 in complex with sinefungin, revealing conserved inhibitor binding that suggests broad antiviral potential.

Development of Highly Selective Epoxyketone-based Plasmodium Proteasome Inhibitors with Negligible Cytotoxicity

This study develops highly selective epoxyketone-based proteasome inhibitors effective against Plasmodium falciparum with low cytotoxicity to human cells.

Structural analysis of the OC43 coronavirus 2'-O-RNA methyltransferase

The paper reports the crystal structure of the OC43 coronavirus 2'-O-RNA methyltransferase complexed with sinefungin, revealing conserved SAM binding and structural differences that suggest antiviral target potential.

High-throughput fluorescent assay for inhibitor screening of proteases from RNA viruses

The paper develops a high-throughput fluorescent assay for screening protease inhibitors from RNA viruses and validates it for SARS-CoV-2 and tick-borne encephalitis virus.

Structural basis of RNA recognition by the SARS-CoV-2 nucleocapsid phosphoprotein

The paper determines the structure of the SARS-CoV-2 nucleocapsid phosphoprotein's N-terminal RNA binding domain and its interaction with RNA using NMR spectroscopy.

Defining the Subcellular Distribution and Metabolic Channeling of Phosphatidylinositol

The paper defines the subcellular distribution and metabolic channeling of phosphatidylinositol using a bacterial enzyme to study its dynamics in intact cells.