Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q9Y6L6
UPID:
SO1B1_HUMAN
Alternative names:
Liver-specific organic anion transporter 1; OATP-C; Organic anion transporter SLC21A6; Sodium-independent organic anion-transporting polypeptide 2; Solute carrier family 21 member 6
Alternative UPACC:
Q9Y6L6; B2R7G2; Q29R64; Q9NQ37; Q9UBF3; Q9UH89
Background:
The Solute carrier organic anion transporter family member 1B1, known as Liver-specific organic anion transporter 1 among other names, plays a crucial role in the Na(+)-independent uptake of organic anions. It exhibits broad substrate specificity, transporting a variety of substances including bile acids, thyroid hormones, and various drugs such as statins and chemotherapeutic agents.
Therapeutic significance:
Given its involvement in the transport of substances critical for liver function and its association with Hyperbilirubinemia, Rotor type, understanding the role of Solute carrier organic anion transporter family member 1B1 could open doors to potential therapeutic strategies for liver-related disorders.