AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for UDP-glucuronosyltransferase 2B7

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

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 for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

Key features that set our library apart include:

  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

P16662

UPID:

UD2B7_HUMAN

Alternative names:

3,4-catechol estrogen-specific UDPGT; UDP-glucuronosyltransferase 2B9; UDPGTh-2

Alternative UPACC:

P16662; B2R810; Q6GTW0

Background:

UDP-glucuronosyltransferase 2B7 (UGT2B7) is a pivotal enzyme in the metabolism of a wide array of substances, including drugs, xenobiotics, and endogenous compounds. It enhances the water solubility of lipophilic substrates through glucuronidation, facilitating their excretion. UGT2B7 also plays a crucial role in the metabolism of steroid hormones and bile acids, and in regulating levels of retinoic acid, vital for cellular processes.

Therapeutic significance:

Understanding the role of UDP-glucuronosyltransferase 2B7 could open doors to potential therapeutic strategies. Its involvement in drug metabolism and detoxification highlights its importance in pharmacokinetics and the potential to influence drug efficacy and safety.

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