AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Organic solute transporter subunit beta

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide 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

Reaxense

upacc

Q86UW2

UPID:

OSTB_HUMAN

Alternative names:

Solute carrier family 51 subunit beta

Alternative UPACC:

Q86UW2; Q3SYF5

Background:

The Organic solute transporter subunit beta, an essential component of the Ost-alpha/Ost-beta complex, plays a pivotal role in bile acid export from enterocytes into portal blood. This protein, also known as Solute carrier family 51 subunit beta, modulates SLC51A glycosylation, membrane trafficking, and stability, facilitating the efficient transport of major bile acid species, steroids, and eicosanoids, crucial for the enterohepatic circulation of sterols.

Therapeutic significance:

Linked to Bile acid malabsorption, primary, 2, a disorder marked by chronic diarrhea and cholestatic liver disease, the Organic solute transporter subunit beta's dysfunction underscores its therapeutic potential. Understanding its role could open doors to innovative treatments for bile acid-related disorders.

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