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 utilise our cutting-edge, exclusive workflow to develop focused 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
P80404
UPID:
GABT_HUMAN
Alternative names:
(S)-3-amino-2-methylpropionate transaminase; GABA aminotransferase; Gamma-amino-N-butyrate transaminase; L-AIBAT
Alternative UPACC:
P80404; A8K386; Q16260; Q8N5W2; Q96BG2; Q99800
Background:
4-aminobutyrate aminotransferase, mitochondrial, also known as GABA aminotransferase, plays a crucial role in neurotransmitter metabolism. It catalyzes the conversion of gamma-aminobutyrate (GABA) to succinate semialdehyde, impacting brain function and development.
Therapeutic significance:
GABA transaminase deficiency, a disease linked to this enzyme, manifests in severe neurological symptoms. Targeting this protein could lead to novel treatments for this and related disorders, highlighting its therapeutic potential.