Discovery of novel and selective SIK2 inhibitors by the application of AlphaFold structures and generative models
Wei Zhu, Xiaosong Liu, Qi Li, Feng Gao, Tingting Liu, Xiaojing Chen, Man Zhang, Alex Aliper, Feng Ren, Xiao Ding, Alex Zhavoronkov
Topics & Concepts
ChemistryDrug discoveryKinaseAMPKComputational biologyDocking (animal)In vitroMolecular modelCombinatorial chemistryProtein kinase ABiochemistryBiologyNursingMedicineComputational Drug Discovery MethodsProtein Degradation and InhibitorsCancer therapeutics and mechanisms