Identification of abemaciclib derivatives targeting cyclin-dependent kinase 4 and 6 using molecular dynamics, binding free energy calculation, synthesis, and pharmacological evaluation

• Main Authors: Yanting Zhou (Author), Xiandeng Li (Author), Peifang Luo (Author), Huiting Chen (Author), Yan Zhou (Author), Xueting Zheng (Author), Yuan Yin (Author), Haoche Wei (Author), Hongji Liu (Author), Wen Xia (Author), Mingsong Shi (Author), Xiaoan Li (Author)
• Format: Book
• Published: Frontiers Media S.A., 2023-05-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

CDK4/6 plays a crucial role in various cancers and is an effective anticancer drug target. However, the gap between clinical requirements and approved CDK4/6 drugs is unresolved. Thus, there is an urgent need to develop selective and oral CDK4/6 inhibitors, particularly for monotherapy. Here, we stu...