The Inhibitors of CDK4/6 from a Library of Marine Compound Database: A Pharmacophore, ADMET, Molecular Docking and Molecular Dynamics Study

The Inhibitors of CDK4/6 from a Library of Marine Compound Database: A Pharmacophore, ADMET, Molecular Docking and Molecular Dynamics Study

Background: CDK4/6 (Cyclin-dependent kinases 4/6) are the key promoters of cell cycle transition from G1 phase to S phase. Thus, selective inhibition of CDK4/6 is a promising cancer treatment. Methods: A total of 52,765 marine natural products were screened for CDK4/6. To screen out better natural c...

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Bibliographic Details
Main Authors:	Lianxiang Luo, Qu Wang, Yinglin Liao
Format:	Article
Language:	English
Published:	MDPI AG 2022-05-01
Series:	Marine Drugs
Subjects:	CDK4/6 marine compounds pharmacophore construction ADMET molecular docking molecular dynamics
Online Access:	https://www.mdpi.com/1660-3397/20/5/319

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