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• W4308637229 abstract "Breast cancer is the most common tumor in women, and selective cyclin-dependent kinase (CDK) 4/6 inhibitors played an important role in the treatment of breast cancer. Therefore, discovering selective CDK4/6 inhibitors with great safety and potent efficacy is beneficial for the breast cancer treatment. In our work, the lead compound 8 was identified through virtual screening; then, systematic structural optimization was conducted to afford 42, which exhibited strong inhibition on CDK4/6 and showed high selectivity among 205 kinases. 42 possessed excellent safety profiles (LD50 > 5,000 mg/kg), favorable pharmacokinetic properties (F % = 43%), and potent efficacy in reducing the burden of breast cancer in vivo. In conclusion, we offered a highly selective CDK4/6 inhibitor, which could be used as a great candidate for further preclinical studies of breast cancer." @default.
• W4308637229 created "2022-11-13" @default.
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• W4308637229 date "2022-11-09" @default.
• W4308637229 modified "2023-10-16" @default.
• W4308637229 title "Discovery, Optimization, and Evaluation of Selective CDK4/6 Inhibitors for the Treatment of Breast Cancer" @default.
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• W4308637229 doi "https://doi.org/10.1021/acs.jmedchem.2c00947" @default.
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• W4308637229 hasPublicationYear "2022" @default.
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