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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
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 stands out due to several important features:
partner
Reaxense
upacc
O15382
UPID:
BCAT2_HUMAN
Alternative names:
Placental protein 18
Alternative UPACC:
O15382; B2RB87; O00269; Q96KG1; Q9BTB6; Q9BUU6
Background:
Branched-chain-amino-acid aminotransferase, mitochondrial, also known as Placental protein 18, plays a pivotal role in the metabolism of essential branched chain amino acids leucine, isoleucine, and valine. Its ability to catalyze the first reaction in their catabolism and potentially function as a transporter highlights its multifaceted role in biological systems.
Therapeutic significance:
The protein's link to Hypervalinemia and hyperleucine-isoleucinemia, a metabolic disorder characterized by elevated plasma concentrations of valine and leucine/isoleucine, underscores its therapeutic significance. The discovery of variants reducing the enzyme's activity and the positive response to vitamin B6 treatment illuminate pathways for targeted therapies, enhancing our understanding of metabolic disorders.