Computational Design of Two Novel BRAF V600E Inhibitors: Exploiting Sulfoximine Bioisosterism and Chiral Constraints to Evade Paradoxical Activation
Zoe Hoi Shuen Yu, Emma R Morrow, Justin B. Siegel
This study designs two novel BRAF V600E inhibitors using computational methods to avoid paradoxical activation and improve docking scores over dabrafenib.
bioRxiv · Jun 30, 2026 · PreprintPharmacology & Toxicology