Focused On-demand Library for Serine/threonine-protein kinase ULK2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q8IYT8

UPID:

ULK2_HUMAN

Alternative names:

Unc-51-like kinase 2

Alternative UPACC:

Q8IYT8; A8MY69; O75119

Background:

Serine/threonine-protein kinase ULK2, also known as Unc-51-like kinase 2, plays a pivotal role in autophagy, responding to starvation by regulating autophagophore formation. It functions upstream of PIK3C3, influencing autophagosome precursors, and interacts with RPTOR to modulate mTORC1 activity. ULK2's activation by AMPK and subsequent regulation of AMPK subunits underscore its critical regulatory feedback loops in autophagy. Its involvement in neuronal differentiation and axon formation highlights its importance in neural development.

Therapeutic significance:

Understanding the role of Serine/threonine-protein kinase ULK2 could open doors to potential therapeutic strategies.