Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 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.
We utilise our cutting-edge, exclusive workflow to develop focused 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.
Our library distinguishes itself through several key aspects:
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.