CDK1 Signaling in Cancer Treatment: Advances in AI-based Strategies and Tools for New Cancer Drug Discovery

Cyclin-Dependent Kinases (CDKs) are proteins that help control the cell cycle. They are considered potential targets for cancer treatment because they are often found at higher levels in cancer tissues than in normal tissues, and their presence is linked to survival rates in many cancer types. Cyclin- Dependent Kinase 1 (CDK1) is crucial for cell division and growth in cancer, as it significantly influences cell cycle progression through complexes formed with cyclins. Tumor growth can occur when CDK1 is deregulated, as its activation and phosphorylation of substrates are crucial for tumor development. Various small molecules that inhibit CDK1 have been developed and tested in preclinical studies, and some have progressed to human clinical trials. By inhibiting CDK1 activity, these drugs prevent it from changing other proteins and controlling the growth of cancer cells. Our study uses the STRING database, Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway, and Gene Ontology (GO) analysis to reveal that CDK1 interacts with many proteins involved in cancer pathways. However, developing the best CDK1 inhibitors is challenging due to selectivity, potency, and cost, which are influenced by CDK1's structure and interactions with other proteins. This review explores the structure, function, regulation, mechanisms, and expression of CDK1, its crystal structure with various ligands, interactions with other proteins, and potential applications of CDK1 inhibitors. Future research, such as combination medicines, CRISPR, nanotechnology, and AI-driven methods and tools, should highlight their practical applications and provide a guide for efficient CDK1 discovery and drug development. Thus, this review emphasizes the significance of CDK1 targeting in cancer therapy, the difficulties in identifying potent inhibitors, and the ongoing research to enhance cancer treatment results by focusing on CDK1.