PhD | Data Scientist | Computational Chemist | Computational Biologist | Computational Materials | Computational Biophysics | Structural Biology | Drug Discovery | AI | Machine learning | Deep Learning | MD simulation
🎯 Precision Targeting in Cancer Therapy: Allosteric CDK4 Inhibition Overcoming the lack of specificity in CDK inhibitors is crucial for effective cancer treatment. Our recent studies introduce a novel approach focusing on allosteric inhibition at the CDK4-cyclin D interface. 🔬 Breakthrough Strategies: Cryptic Allosteric Site: We discovered a cryptic allosteric drug binding site in the protein-protein interface of CDK4-cyclin D, offering a new path to prevent CDK4 activation without affecting CDK6. Mechanistic Insights: Detailed analysis of this interface reveals allosteric sites that offer new pathways for selective inhibition. 🧬 Advancing Drug Discovery: Enhanced Specificity: This approach promises to deliver next-gen CDK4 inhibitors with high specificity, reducing side effects and enhancing therapeutic efficacy. Innovative Therapeutics: Leveraging protein dynamics for drug targeting opens new doors for developing more effective cancer therapies. Explore our full studies to learn how these innovative strategies can transform CDK4 inhibition and advance cancer treatment: https://lnkd.in/exhzPuFX https://lnkd.in/eEW4JgEj #DrugDiscovery #CancerTherapy #CDK4Inhibitors #Biotech #Pharma #ResearchInnovation #AllostericInhibition #MolecularDynamics
President at Array Bridge Inc.
4moCDKs can also be targeted with the Protein Conformational Array approach for HOS disruption. Actually Array Bridge has identified compounds that are both CDK inhibitors and SHP2 conformational disrupters with cell line testing results. We are interested in the development of PCA targeting CDKs.