Advances and Challenges in Molecular Docking Applied to Neglected Tropical Diseases.

The discovery of new drugs for neglected tropical diseases (NTDs) is challenging due to the complexity of parasite-host interactions, causing resistance and the scarcity of financial resources. However, computational techniques, particularly molecular docking, have made significant advancements. This approach allows for the virtual screening of large compound libraries against specific molecular targets in parasites, efficiently cost-effectively identifying potential drug candidates.

The Intermediates in Lewis Acid Catalysis with Lanthanide Triflates.

Lanthanide triflates are effective Lewis acid catalysts in reactions involving carbonyl compounds due to their high oxophilicity and water stability. Despite the growing interest, the identity of the catalytic species formed in lanthanide catalysed reactions is still unknown. We have therefore used mass spectrometry and ion spectroscopy to intercept and characterize the intermediates in a reaction catalysed by ytterbium and dysprosium triflates.