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.
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.
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
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9BUX1
UPID:
CHAC1_HUMAN
Alternative names:
Blocks Notch protein; Cation transport regulator-like protein 1
Alternative UPACC:
Q9BUX1; Q0VIA0
Background:
Glutathione-specific gamma-glutamylcyclotransferase 1, also known as Blocks Notch protein and Cation transport regulator-like protein 1, plays a pivotal role in cellular processes. It catalyzes the cleavage of glutathione, contributing to apoptosis initiation and execution. Furthermore, it acts as a pro-apoptotic component in the unfolded protein response pathway and negatively regulates the Notch signaling pathway, promoting neurogenesis in embryos.
Therapeutic significance:
Understanding the role of Glutathione-specific gamma-glutamylcyclotransferase 1 could open doors to potential therapeutic strategies.