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.
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
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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9BVM4
UPID:
GGACT_HUMAN
Alternative names:
AIG2-like domain-containing protein 1; Gamma-glutamylamine cyclotransferase
Alternative UPACC:
Q9BVM4; B3KTN1; Q9BT41
Background:
Gamma-glutamylaminecyclotransferase, also known as AIG2-like domain-containing protein 1, plays a crucial role in protein degradation. It specifically targets proteins cross-linked by transglutaminases, breaking the bond between lysine and glutamic acid residues. This action facilitates the formation of 5-oxo-L-proline from L-gamma-glutamyl-L-epsilon-lysine, showcasing its unique enzymatic activity.
Therapeutic significance:
Understanding the role of Gamma-glutamylaminecyclotransferase could open doors to potential therapeutic strategies. Its specific enzymatic function in protein degradation pathways highlights its importance in cellular processes and disease mechanisms.