Focused On-demand Library for UDP-glucuronosyltransferase 2B7

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

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.