Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
O75385
UPID:
ULK1_HUMAN
Alternative names:
Autophagy-related protein 1 homolog; Unc-51-like kinase 1
Alternative UPACC:
O75385; Q9UQ28
Background:
Serine/threonine-protein kinase ULK1, also known as Autophagy-related protein 1 homolog and Unc-51-like kinase 1, is a pivotal enzyme in autophagy, responding to starvation by initiating the formation of autophagophores. It operates upstream of PIK3C3, influencing autophagosome precursors, and engages in feedback loops with mTORC1. ULK1's activation by AMPK and its role in neuronal differentiation highlight its broad biological significance.
Therapeutic significance:
Understanding the role of Serine/threonine-protein kinase ULK1 could open doors to potential therapeutic strategies.