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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

Fig. 1. The sreening 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.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

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.