Identification of abemaciclib derivatives targeting cyclin-dependent kinase 4 and 6 using molecular dynamics, binding free energy calculation, synthesis, and …
Y Zhou, X Li, P Luo, H Chen, Y Zhou… - Frontiers in …, 2023 - frontiersin.org
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 …
However, the gap between clinical requirements and approved CDK4/6 drugs is unresolved …
Discovery of indoline-based derivatives as effective ROCK2 inhibitors for the potential new treatment of idiopathic pulmonary fibrosis
S Fu, Y Wen, B Peng, M Tang, M Shi, J Liu, Y Yang… - Bioorganic …, 2023 - Elsevier
Idiopathic pulmonary fibrosis (IPF) is a chronic, progressive, and devastating lung disease
with a median survival of only 3–5 years. Due to the lack of effective therapy, IPF threatens …
with a median survival of only 3–5 years. Due to the lack of effective therapy, IPF threatens …
Selectivity Mechanism of Pyrrolopyridone Analogues Targeting Bromodomain 2 of Bromodomain-Containing Protein 4 from Molecular Dynamics Simulations
M Shi, X Zheng, Y Zhou, Y Yin, Z Lu, Z Zou, Y Hu… - ACS …, 2023 - ACS Publications
Bromodomain and extra-terminal domain (BET) proteins play an important role in epigenetic
regulation and are linked to several diseases; therefore, they are interesting targets. BET …
regulation and are linked to several diseases; therefore, they are interesting targets. BET …