Focused On-demand Library for Amino acid transporter heavy chain SLC3A1

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

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

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

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:

The Amino acid transporter heavy chain SLC3A1, also known as D2h, plays a crucial role in the biogenesis and trafficking of transporter heteromers, particularly in facilitating the exchange between cationic and neutral amino acids across cell membranes. Its association with SLC7A9 forms a transporter complex vital for the reabsorption of L-cystine and dibasic amino acids, key in maintaining amino acid balance.

Therapeutic significance:

SLC3A1's involvement in Cystinuria and Hypotonia-cystinuria syndrome underscores its therapeutic significance. Targeting the SLC3A1-SLC7A9 transporter complex offers a promising strategy for treating these genetic disorders, highlighting the importance of understanding SLC3A1's function and regulation.