Focused On-demand Library for Excitatory amino acid transporter 3

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 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 utilise our cutting-edge, exclusive workflow to develop focused libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.


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
Receptor.AI
 
UPACC
P43005

UPID:
EAA3_HUMAN

ALTERNATIVE NAMES:
Excitatory amino-acid carrier 1; Neuronal and epithelial glutamate transporter; Sodium-dependent glutamate/aspartate transporter 3; Solute carrier family 1 member 1

ALTERNATIVE UPACC:
P43005; O75587; Q5VZ24; Q8N199; Q9UEW2

BACKGROUND:
The Excitatory amino acid transporter 3, with alternative names such as Neuronal and epithelial glutamate transporter, is integral to amino acid transport in the brain and kidneys. It functions as a symporter, facilitating the uptake of essential neurotransmitters alongside sodium ions, which is vital for cognitive and renal functions.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Excitatory amino acid transporter 3 could open doors to potential therapeutic strategies. Its association with conditions like Dicarboxylic aminoaciduria and its potential link to Schizophrenia 18 underscore the importance of this protein in human health. Targeting EAAT3 could lead to breakthroughs in managing psychiatric and metabolic disorders.

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