Radical-cation salts of BEDT-TTF with tris-coordinated racemic dysprosium(III) and terbium(III) anions.

This paper reports the synthesis, crystal structures and conducting properties of the first BEDT-TTF radical-cation salts with symmetry tris-coordinated racemic lanthanide(III) anions. It is also the first crystallographic determination of the nine-coordinate tris(chelidonato)terbate and tris(chelidonato)dysprosate anions (chelidonic acid = clo = 4-oxo-4-pyran-2,6-dicarboxylic acid). Salt α-(BEDT-TTF)M(chelidonato)·EtOH·2HO is semimetallic for M = Tb, and semiconducting for M = Dy.

Spontaneous Resolution of the Fe(CO) Anion and Inclusion of Chiral Guest Molecules in BEDT-TTF Radical-Cation Salts.

We report the synthesis of three radical-cation salts of BEDT-TTF from racemic tris(oxalato)ferrate by electrocrystallization in the presence of chiral molecules. In the presence of enantiopure l-(+)-tartaric acid, we observe spontaneous resolution of the labile tris(oxalato)ferrate anion to produce the chiral radical-cation salt α-(BEDT-TTF)[Δ-Fe(CO)].[l-(+)-tartaric acid] which contains only the Δ enantiomer of Fe(CO).

Selective Aurora A-TPX2 Interaction Inhibitors Have Efficacy as Targeted Antimitotic Agents.

Aurora A kinase, a cell division regulator, is frequently overexpressed in various cancers, provoking genome instability and resistance to antimitotic chemotherapy. Localization and enzymatic activity of Aurora A are regulated by its interaction with the spindle assembly factor TPX2. We have used fragment-based, structure-guided lead discovery to develop small molecule inhibitors of the Aurora A-TPX2 protein-protein interaction (PPI).

Melodia: A Python Library for Protein Structure Analysis.

Summary: Analysing protein structure similarities is an important step in protein engineering and drug discovery. Methodologies that are more advanced than simple RMSD are available but often require extensive mathematical or computational knowledge for implementation. Grouping and optimising such tools in an efficient open-source library increases accessibility and encourages the adoption of more advanced metrics.