Focused On-demand Library for Solute carrier organic anion transporter family member 1B1

Focused On-demand Libraries - Reaxense Collaboration

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

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

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.