Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q3KQV9
UPID:
UAP1L_HUMAN
Alternative names:
-
Alternative UPACC:
Q3KQV9; A2AMJ8; Q5SPZ2; Q69YQ3; Q6ZR38
Background:
UDP-N-acetylhexosamine pyrophosphorylase-like protein 1 plays a crucial role in cellular processes by participating in the biosynthesis of glycosaminoglycans, essential components for cellular communication and signaling. Its unique enzymatic activity underscores its importance in metabolic pathways.
Therapeutic significance:
Understanding the role of UDP-N-acetylhexosamine pyrophosphorylase-like protein 1 could open doors to potential therapeutic strategies. Its involvement in fundamental cellular processes suggests that modulating its activity could offer new avenues for treating diseases linked to metabolic and signaling pathways.