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Identification of abemaciclib derivatives targeting cyclin-dependent kinase 4 and 6 using molecular dynamics, binding free energy calculation, synthesis, and pharmacological evaluation
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...
Autores principales: | Zhou, Yanting, Li, Xiandeng, Luo, Peifang, Chen, Huiting, Zhou, Yan, Zheng, Xueting, Yin, Yuan, Wei, Haoche, Liu, Hongji, Xia, Wen, Shi, Mingsong, Li, Xiaoan |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Frontiers Media S.A.
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10206264/ https://www.ncbi.nlm.nih.gov/pubmed/37234717 http://dx.doi.org/10.3389/fphar.2023.1154654 |
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