Novel purine derivatives as selective CDK2 inhibitors with potential anticancer activities: Design, synthesis and biological evaluation

[Display omitted] •Docking and MD simulations verified CDK2 as the anticancer target of the designed compounds.•Simple, efficient, and optimized reaction conditions for nucleoside synthesis were developed.•The synthesised compounds displayed significant cytotoxicity in the NCI-60 and MTT assays.•Inh...

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Veröffentlicht in:	Bioorganic chemistry 2024-12, Vol.153, p.107841, Article 107841
Hauptverfasser:	Shah, Alpesh, Teraiya, Nishith, Kamdar, Jignesh H., Juneja, Tanzil, Sangani, Chetan B., Ahmed, Sarfaraz, Kapadiya, Khushal
Format:	Artikel
Sprache:	eng
Schlagworte:	Antineoplastic Agents - chemical synthesis Antineoplastic Agents - chemistry Antineoplastic Agents - pharmacology Apoptosis Apoptosis - drug effects CDKs inhibition Cell Line, Tumor Cell Proliferation - drug effects Cyclin-Dependent Kinase 2 - antagonists & inhibitors Cyclin-Dependent Kinase 2 - metabolism Docking study Dose-Response Relationship, Drug Drug Design Drug Screening Assays, Antitumor Humans Molecular Docking Simulation Molecular Structure Protein Kinase Inhibitors - chemical synthesis Protein Kinase Inhibitors - chemistry Protein Kinase Inhibitors - pharmacology Purine nucleoside Purines - chemical synthesis Purines - chemistry Purines - pharmacology Structure-Activity Relationship
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