Focused On-demand Library for b(0,+)-type amino acid transporter 1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 employ our advanced, specialised process to create targeted 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.

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

P82251

UPID:

BAT1_HUMAN

Alternative names:

Glycoprotein-associated amino acid transporter b0,+AT1; Solute carrier family 7 member 9

Alternative UPACC:

P82251; B2R9A6

Background:

The b(0,+)-type amino acid transporter 1, also known as Solute carrier family 7 member 9, plays a crucial role in the transport of cationic amino acids and L-cystine across cell membranes. This protein forms a functional transporter complex with SLC3A1, facilitating the exchange of extracellular cationic amino acids and L-cystine for intracellular neutral amino acids. Its activity is essential for the reabsorption of L-cystine and dibasic amino acids in renal proximal tubules.

Therapeutic significance:

Mutations in the gene encoding b(0,+)-type amino acid transporter 1 are linked to Cystinuria, a disorder characterized by the formation of cystine stones in the urinary tract. Understanding the role of this transporter could open doors to potential therapeutic strategies for managing Cystinuria, aiming to enhance the reabsorption of cystine and prevent stone formation.