Focused On-demand Libraries - Receptor.AI 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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


Our top-notch dedicated system is used to design specialised libraries.


 

Fig. 1. The screening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.


PARTNER
Receptor.AI
 
UPACC
Q9H2B4

UPID:
S26A1_HUMAN

ALTERNATIVE NAMES:
Solute carrier family 26 member 1

ALTERNATIVE UPACC:
Q9H2B4; A8K9N2; Q7Z5R3; Q96BK0

BACKGROUND:
Sulfate anion transporter 1, identified by its alternative name Solute carrier family 26 member 1, is integral to the body's anion transport system. It uniquely transports sulfate anions independently of sodium, engaging in anion exchanges that include bicarbonate, thiosulfate, and oxalate. This protein's function is critical for the regulation of anion concentrations across cellular membranes, facilitating essential physiological processes.

THERAPEUTIC SIGNIFICANCE:
Given its involvement in calcium oxalate nephrolithiasis, Sulfate anion transporter 1 represents a significant target for drug discovery efforts. The disease, marked by the formation of kidney stones, poses a considerable health burden. Targeting the function of Sulfate anion transporter 1 could lead to innovative treatments that alleviate or prevent the symptoms associated with kidney stones, offering hope to those affected by this painful condition.

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