Focused On-demand Library for Neutral amino acid transporter A

Focused On-demand Libraries - Reaxense 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.

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.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our high-tech, dedicated method is applied to construct targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across 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

P43007

UPID:

SATT_HUMAN

Alternative names:

Alanine/serine/cysteine/threonine transporter 1; Solute carrier family 1 member 4

Alternative UPACC:

P43007; B7Z3C0; D6W5F0

Background:

The Neutral amino acid transporter A, also known as Alanine/serine/cysteine/threonine transporter 1 or Solute carrier family 1 member 4, encoded by the gene with accession number P43007, plays a crucial role in the sodium-dependent transport of neutral amino acids such as alanine, serine, cysteine, proline, hydroxyproline, and threonine across cell membranes.

Therapeutic significance:

This transporter is implicated in a neurodevelopmental disorder characterized by spastic tetraplegia, thin corpus callosum, and progressive microcephaly, highlighting its critical role in brain development and function. Understanding the transporter's mechanism could lead to novel therapeutic strategies for treating this debilitating condition.