AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Excitatory amino acid transporter 1

Available from Reaxense
Predicted by Alphafold

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 employ our advanced, specialised process to create targeted libraries.

 Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse 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

Reaxense

upacc

P43003

UPID:

EAA1_HUMAN

Alternative names:

Sodium-dependent glutamate/aspartate transporter 1; Solute carrier family 1 member 3

Alternative UPACC:

P43003; B2R5T3; Q4JCQ8

Background:

Excitatory amino acid transporter 1, also known as Sodium-dependent glutamate/aspartate transporter 1 and Solute carrier family 1 member 3, is pivotal in neurotransmission. It ensures the high-affinity uptake of L-glutamate, L-aspartate, and D-aspartate, crucial for synaptic function. This protein operates as a symporter, harmonizing the transport of amino acids with Na(+) ions and a proton, while counter-transporting a K(+) ion. It also mediates Cl(-) flux independent of amino acid transport, preventing negative charge accumulation.

Therapeutic significance:

Linked to Episodic ataxia 6, a disorder marked by ataxia, seizures, migraine, and alternating hemiplegia, due to gene variants affecting this protein. Understanding the role of Excitatory amino acid transporter 1 could open doors to potential therapeutic strategies for this and related neurological conditions.

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