The application of computational approaches in drug discovery has been consolidated in
the last decades. These families of techniques are usually grouped under the common …

Pancreatic ductal adenocarcinoma (PDAC) is one of the main aggressive types of cancer,
characterized by late prognosis and drug resistance. Among the main factors sustaining …

The latest monkeypox virus outbreak in 2022 showcased the potential threat of this viral
zoonosis to public health. The lack of specific treatments against this infection and the …

Ribonucleic acids are gradually becoming relevant players among putative drug targets,
thanks to the increasing amount of structural data exploitable for the rational design of …

A3 adenosine receptor (A3AR) positive allosteric modulators (PAMs)(2, 4-disubstituted-1 H-
imidazo [4, 5-c] quinolin-4-amines) allosterically increase the E max of A3AR agonists, but …

Nirmatrelvir was the first protease inhibitor specifically developed against the SARS-CoV-2
main protease (3CLpro/Mpro) and licensed for clinical use. As SARS-CoV-2 continues to …

The Food and Drug Administration (FDA) has approved MAPK inhibitors as a treatment for
melanoma patients carrying a mutation in codon V600 of the BRAF gene exclusively …

2-Arylethynyl (N)-methanocarba adenosine 5′-methylamides are selective A3 adenosine
receptor (AR) agonists containing a preestablished receptor-preferred pseudoribose …

Protein kinase CK1δ (CK1δ) is a serine-threonine/kinase that modulates different
physiological processes, including the cell cycle, DNA repair, and apoptosis. CK1δ …

This study revisits the pioneering work of Professor Neidle, and co-workers, on the crystal
structure of complexes formed between groove binders and DNA sequences. The original …