Some medically important viruses―including retroviruses, flaviviruses, coronaviruses, and
herpesviruses―code for a protease, which is indispensable for viral maturation and …

Abstract KRAS G12C has been identified as a potential target in the treatment of solid
tumors. One of the most often transformed proteins in human cancers is the small Kirsten rat …

Drug discovery aims to identify potential therapeutic compounds capable of modulating the
activity of specific biological targets. Molecular docking can efficiently support this process …

The Plasmodium falciparum proteasome constitutes a promising antimalarial target, with
multiple chemotypes potently and selectively inhibiting parasite proliferation and synergizing …

Ligand binding sites provide essential information for uncovering protein functions and
structure-based drug discovery. To facilitate cavity detection and property analysis process …

Cysteine-focused chemical proteomic platforms have accelerated the clinical development
of covalent inhibitors for a wide range of targets in cancer. However, how different oncogenic …

A dominant assumption in pharmacology throughout the 20th century has been that in vivo
target occupancy—and attendant pharmacodynamics—depends on the systemic …

The development of small-molecule inhibitors or stabilizers of selected protein–protein
interactions (PPIs) of interest holds considerable promise for the development of research …

Covalent inhibitors and other types of covalent modalities have seen a revival in the past two
decades, with a variety of new targeted covalent drugs having been approved in recent …

Only around 20% of the human proteome is considered to be druggable with small-molecule
antagonists. This leaves some of the most compelling therapeutic targets outside the reach …