Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. 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.


We use our state-of-the-art dedicated workflow for designing focused libraries.


 

Fig. 1. The screening 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.


Our library distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.


PARTNER
Receptor.AI
 
UPACC
Q07837

UPID:
SLC31_HUMAN

ALTERNATIVE NAMES:
D2h; Neutral and basic amino acid transport protein; Solute carrier family 3 member 1; b(0,+)-type amino acid transporter-related heavy chain

ALTERNATIVE UPACC:
Q07837; A8K0S1; O00658; Q15295; Q4J6B4; Q4J6B5; Q4J6B6; Q4J6B7; Q4J6B8; Q4J6B9; Q52M92; Q52M94

BACKGROUND:
SLC3A1, or the Neutral and basic amino acid transport protein, is integral to amino acid transport across the plasma membrane, partnering with SLC7A9 to mediate the electrogenic exchange of amino acids. This process is crucial for the reabsorption of essential amino acids in the kidneys, demonstrating SLC3A1's pivotal role in amino acid homeostasis.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of SLC3A1 could open doors to potential therapeutic strategies. Its direct link to diseases like Cystinuria and Hypotonia-cystinuria syndrome provides a clear pathway for developing targeted treatments that could alleviate or even prevent the symptoms associated with these conditions.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.