We are thrilled to share with you a fresh article by Dr. Yurii Moroz and Dr. Olga Tarkhanova - 'AI-Powered Virtual Screening of Large Compound Libraries Leads to the Discovery of Novel Inhibitors of Sirtuin‑1', co-authored by an excellent team: Anastasiia Gryniukova, Florian Kaiser, Iryna Myziuk, Diana Alieksieieva, Christoph Leberecht, Peter Heym, Petro Borysko, and Joachim Haupt.
Assay stability, high protein concentration, and low molecular weight aliquots are frequent limitations for screening large chemical libraries. The article shows how smart algorithms reduce large screening collections to target-specific sets of just a few hundred small molecules, allowing for a much faster and more cost-effective hit discovery process. Interestingly, the in vitro test of 434 compounds led to the discovery of two potent Sirtuin-1 inhibitors with a chemical scaffold divergent from known inhibitors against the same target.
