Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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 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
Q86UW1
UPID:
OSTA_HUMAN
Alternative names:
Solute carrier family 51 subunit alpha
Alternative UPACC:
Q86UW1; Q6ZMC7
Background:
The Organic solute transporter subunit alpha, 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 efficiently transports major species of bile acids, including taurocholate, and has a significant role in the enterohepatic circulation of sterols and eicosanoids.
Therapeutic significance:
Linked to Cholestasis, progressive familial intrahepatic, 6 (PFIC6), a severe liver disorder, understanding the role of Organic solute transporter subunit alpha could unveil novel therapeutic strategies for managing this debilitating condition.