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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We utilise our cutting-edge, exclusive workflow to develop focused 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.
Our library distinguishes itself through several key aspects:
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.