Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q6PHR2
UPID:
ULK3_HUMAN
Alternative names:
Unc-51-like kinase 3
Alternative UPACC:
Q6PHR2; B2RXK3; B4DFT0; B4DRQ7; D3DW68; Q9NPN5; Q9UFS4
Background:
Serine/threonine-protein kinase ULK3, also known as Unc-51-like kinase 3, plays a pivotal role in cellular processes by acting as a regulator of Sonic hedgehog (SHH) signaling and autophagy. It serves as a negative regulator of SHH signaling in the absence of SHH ligand through interaction with SUFU, inhibiting protein kinase activity and GLI proteins phosphorylation. Conversely, in the presence of SHH, ULK3 promotes SHH signaling by dissociating from SUFU, undergoing autophosphorylation, and facilitating GLI2 phosphorylation, which activates and translocates it to the nucleus.
Therapeutic significance:
Understanding the role of Serine/threonine-protein kinase ULK3 could open doors to potential therapeutic strategies.