AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Neutral amino acid transporter B(0)

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 use our state-of-the-art dedicated workflow for designing 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 stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q15758

UPID:

AAAT_HUMAN

Alternative names:

Baboon M7 virus receptor; RD114/simian type D retrovirus receptor; Sodium-dependent neutral amino acid transporter type 2; Solute carrier family 1 member 5

Alternative UPACC:

Q15758; A8K9H5; B4DR77; B4DWS4; B7ZB81; D0EYG6; E9PC01; O95720; Q96RL9; Q9BWQ3; Q9UNP2

Background:

The Neutral amino acid transporter B(0) is a pivotal sodium-coupled antiporter, facilitating the exchange of neutral amino acids across cell membranes. It primarily transports L-glutamine, crucial for protein synthesis, nucleotide formation, and as an alternative energy source for mitochondrial functions. This transporter also plays a role in cell differentiation by supplying L-glutamine to proliferating cells. Additionally, it serves as a receptor for various viruses, including Feline endogenous virus RD114 and Baboon M7 endogenous virus.

Therapeutic significance:

Understanding the role of Neutral amino acid transporter B(0) could open doors to potential therapeutic strategies.

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