On drug discovery against infectious diseases and academic medicinal chemistry contributions

• Yves L. Janin

Beilstein J. Org. Chem. 2022, 18, 1355–1378, doi:10.3762/bjoc.18.141

• considering the results of academic as well as industrial screening campaigns. Keywords: antibacterials; frequent hitters; hit to lead chemical library; medicinal chemistry; virtual docking; Introduction The current state of affairs in the academia and two problems for medicinal chemists Across the world

• ]. This text only focuses on what happens chemistry-wise during the first two phases: hit discovery and hit to lead, since these are so far remaining within the realm of academia. Perspective Hit discovery, frequent hitters and virtual screening contributions The first problem is that the discovery of a

• drug always revolves around a selection of the initial hits to work on. Aside from being “real hits” and not one of the many frequent hitters/pan-assay interference compounds (PAINS), the choice of such compounds is dependent on the chemical libraries available, on the chemistry possible, on the