Focused On-demand Library for Branched-chain-amino-acid aminotransferase, cytosolic

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

P54687

UPID:

BCAT1_HUMAN

Alternative names:

Protein ECA39

Alternative UPACC:

P54687; B3KY27; B7Z2M5; B7Z5L0; F5H5E4; Q68DQ7; Q96MY9

Background:

Branched-chain-amino-acid aminotransferase, cytosolic, also known as Protein ECA39, plays a pivotal role in the metabolism of essential branched chain amino acids (BCAAs) such as leucine, isoleucine, and valine. These amino acids are crucial for protein synthesis and energy production in human cells.

Therapeutic significance:

Understanding the role of Branched-chain-amino-acid aminotransferase, cytosolic could open doors to potential therapeutic strategies. Its critical function in amino acid metabolism suggests its involvement in metabolic disorders could be significant, offering a pathway for innovative treatments.