Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design.
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DOI: 10.1021/acsmedchemlett.2c00515
Abstract: Selective CDK2 inhibitors have the potential to provide effective therapeutics for CDK2-dependent cancers and for combating drug resistance due to high cyclin E1 (CCNE1) expression intrinsically or CCNE1 amplification induced by treatment of CDK4/6 inhibitors.… read more here.
Keywords: cdk2 inhibitor; generative models; macrocyclic cdk2; drug ... See more keywords