AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Solute carrier organic anion transporter family member 1B3

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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 employ our advanced, specialised process to create targeted libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

Our library stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q9NPD5

UPID:

SO1B3_HUMAN

Alternative names:

Liver-specific organic anion transporter 2; OATP1B3; Organic anion transporter 8; Organic anion-transporting polypeptide 8; Solute carrier family 21 member 8

Alternative UPACC:

Q9NPD5; E7EMT8; Q5JAR4

Background:

The Solute carrier organic anion transporter family member 1B3, known as OATP1B3, plays a crucial role in the Na(+)-independent uptake of organic anions. It exhibits broad substrate specificity, transporting a variety of compounds including bile acids, conjugated steroids, and thyroid hormones. Its ability to transport coproporphyrin I and III highlights its involvement in heme synthesis, while also facilitating the clearance of bile acids and organic anions from the liver.

Therapeutic significance:

OATP1B3's involvement in Hyperbilirubinemia, Rotor type, underscores its clinical relevance. By mediating the transport of bilirubin glucuronides, it contributes to detoxification processes. Understanding the role of OATP1B3 could open doors to potential therapeutic strategies, especially in the development of treatments for liver-related disorders and the optimization of chemotherapeutic drug delivery.

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