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:
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.