3D and 2D interaction between CDK4/6-CMNPD2744.

<div><p>Cyclin-dependent kinases 4 and 6 (CDK4/6) are crucial regulators of cell cycle progression and represent important therapeutic targets in breast cancer. This study employs a comprehensive computational approach to identify novel CDK4/6 inhibitors from marine natural products. We...

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محفوظ في:

التفاصيل البيبلوغرافية
المؤلف الرئيسي:	Abhijit Debnath (17497764) (author)
مؤلفون آخرون:	Rupa Mazumder (12184129) (author), Anil Kumar Singh (7551270) (author), Rajesh Kumar Singh (8690151) (author)
منشور في:	2025
الموضوعات:	Biochemistry Pharmacology Inorganic Chemistry Environmental Sciences not elsewhere classified Biological Sciences not elsewhere classified Chemical Sciences not elsewhere classified Information Systems not elsewhere classified marine natural products indicating better compatibility exhibiting lower rmsd comprehensive computational approach comprehensive 500 nanosecond cell cycle progression autodock vina 1 25 exhibited non dependent kinases 4 dependent kinase 4 rigorous filtering based based virtual screening div >< p 6 active site 344 passed drug identify novel cdk4 autodocktools 4 vitro </ utilized structure toxicity profiles toxic profiles study employs structural stability six top rmsf values pains filters pains filter novel cyclin mnp library initial hit highest potency cytotoxic effects crucial regulators cmnpd11585 showing cmnpd database breast cancer analysis revealed adme properties 6 inhibitors
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3D and 2D interaction between CDK4/6-CMNPD2744.

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