Using AI to Discover Small Molecule Alternatives to Biologics
Nov 6, 2024
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Kfir Schreiber, Co-founder and CEO of Deepcure, specializes in AI-driven small molecule therapies for autoimmune diseases. He discusses how AI is revolutionizing drug discovery by exploring previously unreachable chemical spaces. The conversation delves into the shift from biologics to small molecules, emphasizing their advantages in treatment. Kfir also highlights Deepcure's innovative techniques in generating effective inhibitors, showcasing the potential to turn challenging targets into viable therapies while reducing toxicity and improving patient outcomes.
DeepCure's AI-driven platform enables the discovery of small molecule therapies, targeting previously undruggable proteins for autoimmune diseases.
By integrating advanced physics simulations with AI, DeepCure enhances drug design efficiency and improves the safety profile of developing compounds.
Deep dives
AI in Drug Discovery
The potential of artificial intelligence (AI) is reshaping drug discovery by enabling exploration of a broader chemical space. DeepCure is focused on using AI to discover small molecule therapies for autoimmune diseases, addressing challenges that traditional methods have struggled with. By leveraging advanced physics simulations alongside AI, DeepCure identifies numerous binding opportunities for potential drug molecules, reducing design biases typically present in traditional approaches. This innovative methodology not only enhances the efficiency of the discovery process but also improves the likelihood of developing effective, safe small molecule drugs.
Overcoming Historical Challenges
DeepCure specializes in tackling historically undruggable targets, exemplified by their development of a selective BRD4-BD2 inhibitor. Previous attempts at creating BRD4 inhibitors resulted in significant toxicities due to non-selectivity. DeepCure's advancements allow for targeted inhibition without the accompanying adverse effects seen with earlier inhibitors, significantly enhancing the safety profile of their compounds. This unique focus on extremely challenging chemical problems showcases the company's commitment to delivering innovative solutions in autoimmune disease treatment.
Streamlined Discovery Process
DeepCure's discovery process emphasizes a synergistic interaction between AI technology and human expertise, ensuring a robust development cycle. The company utilizes a generative AI tool, MolGen, to create massive libraries of potential drug candidates, which are then synthesized using their automated platform. This integrated approach allows for rapid iteration and validation of drug designs based on in vitro and in vivo testing, significantly reducing turnaround times for feedback. As a result, DeepCure can fine-tune its designs continuously, leading to a more dynamic and effective drug development process.
One of the promises of AI is to redefine what’s possible by enabling the discovery of compounds that exist in a much larger chemical space than scientists have previously been able to explore. Deepcure is using AI and physics to discover small molecule therapies that can bind to difficult to target proteins. We spoke to Kfir Schreiber, co-founder and CEO of Deepcure, about the company’s AI technology platform, its focus on autoimmune diseases, and why he believes its technology will allow it to develop small molecule drugs that can provide alternatives to biologics to treat these conditions.
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