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- W3199907416 endingPage "108020" @default.
- W3199907416 startingPage "108020" @default.
- W3199907416 abstract "In the family of serine/threonine kinases, Cyclin Dependent Kinase 4 (CDK4), is an important regulator in numerous signal transduction pathways. The cell cycle is dysregulated in human breast adenocarcinoma (MCF-7). A set of various categorical QSAR models were generated and validated in the current examination. A recursive partition model, with predictive ability shown by an accuracy of greater than 0.90, was used for virtual screening of 500,000 molecules. Following a consecutive series of molecular docking procedures, followed by pharmacokinetic analysis of 49759 molecules predicted to have pIC50 greater than 7.39, 25 molecules displayed properties that could be described as drug-like. We selected the lead molecules in the MCF-7 cell line based on its ability to promote cell cycle progression." @default.
- W3199907416 created "2021-09-27" @default.
- W3199907416 creator A5002548970 @default.
- W3199907416 creator A5087223756 @default.
- W3199907416 date "2021-12-01" @default.
- W3199907416 modified "2023-09-28" @default.
- W3199907416 title "High-throughput virtual screening followed by in vitro investigation to identify new lead inhibitors of Cyclin Dependent Kinase 4" @default.
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- W3199907416 doi "https://doi.org/10.1016/j.jmgm.2021.108020" @default.
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