Focused On-demand Library for UDP-glucuronosyltransferase 2B7

Details

Focused On-demand Libraries - Receptor.AI 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.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by Reaxense.


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 screening 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.


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
Receptor.AI
 
UPACC
P16662

UPID:
UD2B7_HUMAN

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

ALTERNATIVE UPACC:
P16662; B2R810; Q6GTW0

BACKGROUND:
The enzyme UDP-glucuronosyltransferase 2B7, known for its critical function in phase II biotransformation, is essential for detoxifying a broad spectrum of compounds. By conjugating glucuronic acid to substrates, it significantly increases their solubility, aiding in their elimination. This enzyme is key in processing both synthetic drugs and natural hormones, thereby maintaining physiological balance.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of UDP-glucuronosyltransferase 2B7 offers a promising pathway to innovative therapeutic approaches. Its central role in the clearance and detoxification of numerous substances positions it as a target for enhancing drug design and treatment modalities.

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