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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
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 use our state-of-the-art dedicated workflow for designing 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
Q8TD30
UPID:
ALAT2_HUMAN
Alternative names:
Glutamate pyruvate transaminase 2; Glutamic--alanine transaminase 2; Glutamic--pyruvic transaminase 2
Alternative UPACC:
Q8TD30; Q8N9E2
Background:
Alanine aminotransferase 2, also known as Glutamate pyruvate transaminase 2, plays a crucial role in amino acid metabolism by catalyzing the reversible transamination between alanine and 2-oxoglutarate to form pyruvate and glutamate. This enzyme's activity is pivotal in the alanine cycle, which helps in the metabolism of glucose and amino acids.
Therapeutic significance:
The enzyme's association with Neurodevelopmental disorder with spastic paraplegia and microcephaly underscores its potential as a therapeutic target. Understanding the role of Alanine aminotransferase 2 could open doors to potential therapeutic strategies for treating this severe syndrome, characterized by developmental delays and intellectual challenges.