Computers in biology and medicineJanus Kinase 3Molecular Dynamics SimulationHumansProtein Kinase InhibitorsDrug Design
Designing new hit series of JAK3 inhibitors using generative AI, reinforcement learning, and molecular dynamics.
Nhung Hong Thi Duong, Tuan Ngoc Do, Lap Thi Nguyen
Published: 202510.1016/j.compbiomed.2025.111226
Abstract
Janus kinase 3 (JAK3) is a crucial non-receptor tyrosine kinase involved in the JAK/STAT signaling pathway. Its dysregulation is associated with cancers, autoimmune diseases, and immunodeficiencies, making JAK3 inhibitors a promising therapeutic opti…
Preview only. Read the full abstract at the source