Brenig Therapeutics has announced that Alexei Pushechnikov, PhD, will present the company’s computation discovery platform, in partnership with Expert Systems, Inc., at the upcoming Keystone Symposia meeting, Computational Advances in Drug Discovery.

Dr. Pushechnikov’s presentation, titled “The Convergence of Structural Biology and Non-Human Intelligence in Brenig Therapeutics’ Early Discovery,” will highlight Brenig’s Hybrid AI Platform, developed in partnership with Expert Systems Inc and its proprietary Artificial Intelligence (AI)-driven drug discovery technologies. This integrated approach combines physics-based structural biology with advanced Machine Learning (ML) to address longstanding challenges in drug discovery.

The presentation will showcase how Brenig’s approach enables the design of highly selective, brain-penetrant small molecules, overcoming the historical tradeoff between potency, selectivity, and Central Nervous System (CNS) exposure. By combining molecular dynamics–driven structural insights with large-scale AI-enabled property optimisation, the platform allows for rapid iteration through a high-efficiency design–make–test cycle. Unlike traditional sequential development paradigms, Brenig applies a concurrent co-optimisation strategy, enabling simultaneous refinement of potency, selectivity, safety, and CNS exposure.

This integrated approach has enabled the advancement of multiple programs from design to clinical development in approximately three years, underscoring the potential to deliver breakthrough therapies while maintaining capital efficiency.

Dr. Pushechnikov said, “Brenig was founded on the belief that advancing molecules that were developed integrating rigorous physics with modern AI could fundamentally change how drugs are discovered. Through our collaboration with Expert Systems, we are able to operationalise a powerful discovery engine that explores chemical space with a level of precision and efficiency that was previously not possible.”

This methodology has directly enabled the advancement of Brenig’s two clinical-stage programs: BT-267( a potent, selective, brain-penetrant LRRK2 inhibitor for Parkinson’s disease) and BT-409 (a brain-penetrant NLRP3 inhibitor for cardiometabolic and neuroinflammatory diseases).

BT-409 was originally discovered by Mwyngil Therapeutics, which utilised the same underlying platform technologies. Brenig has subsequently acquired BT-409 and advanced the program into clinical development.

Together, these programs exemplify the platform’s ability to generate compounds with optimsed pharmacologic characteristics, supporting Brenig’s strategy to develop the best-in-class therapies.

The company will also present data demonstrating that this hybrid approach can resolve historically intractable challenges in CNS drug development, including achieving high kinome selectivity alongside robust brain exposure. The success of BT-267, which demonstrates strong selectivity and a favorable safety profile, serves as proof-of-concept for this discovery paradigm.

Megan McGill, MD, PhD, Chief Executive Officer (CEO), Brenig Therapeutics, said, “This discovery engine is not just theoretical—it has already produced clinical-stage assets with differentiated profiles. By partnering with Expert Systems, we’ve built a highly optimised approach to drug discovery that we believe can consistently deliver best-in-class medicines.”