Humans are constantly exposed to mixtures of different xenobiotics through their diet. One
emerging concern is the Alternaria mycotoxin alternariol (AOH), which can occur in foods …

Druggable pockets are protein regions that have the ability to bind organic small molecules,
and their characterization is essential in target-based drug discovery. However, deriving …

The current selection of ligands for both proteins of interest (POI) and E3 ubiquitin ligase
significantly restricts the scope of targeted protein degradation (TPD) technologies. This …

Protein kinases are among the most important drug targets because their dysregulation can
cause cancer, inflammatory and degenerative diseases, and many more. Developing …

Risk assessment of food and environmental contaminants is faced by substantial data gaps
and novel strategies are needed to support science-based regulatory actions. The Alternaria …

Druggable pockets are protein regions that have the ability to bind organic small molecules,
and their characterization is essential in target-based drug discovery. However, strategies to …

Cancer is one of the major public health issues, causing several million losses every year.
Although anti-cancer drugs have been developed and are globally administered, mild to …

Kinases are established drug targets to combat cancer and inflammatory diseases. Despite
decades of kinase research, challenges still remain, such as the under-exploration of a large …

Presented here is a computational design of druglike allosteric inhibitors of the M-Ras, B-
Raf, and C-Raf kinases. The Ras and Raf kinases are important for cell proliferation. Their …