Fragment-based drug design facilitates selective kinase inhibitor discovery.

摘要: Protein kinases (PKs) are important drug targets, but selectivity poses a challenge to protein kinase inhibitors (PKIs) design. Fragment-based discovery (FBDD) has achieved great success in the of highly specific PKIs. It makes full use kinase-fragment interaction target subpockets obtain promising selectivity. However, it's difficult understand complicated space, and systemic discussion these interactions is still lacking. Herein, we introduce advantages FBDD strategy PKIs Key features summarized analyzed. Some introduced as case studies help fragment-to-lead (F2L) optimization process. Novel strategies technologies for also outlooked.