Focused On-demand Library for COUP transcription factor 2

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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


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 use our state-of-the-art dedicated workflow for designing focused 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
P24468

UPID:
COT2_HUMAN

ALTERNATIVE NAMES:
Apolipoprotein A-I regulatory protein 1; COUP transcription factor II; Nuclear receptor subfamily 2 group F member 2

ALTERNATIVE UPACC:
P24468; B4DQJ2; B6ZGU1; Q03754; Q3KQR7

BACKGROUND:
The protein COUP transcription factor 2, with alternative names such as Apolipoprotein A-I regulatory protein 1, serves as a key ligand-activated transcription factor. It responds to high concentrations of retinoic acids, influencing apolipoprotein A-I gene transcription and is essential for early gonad development, particularly in establishing ovary identity.

THERAPEUTIC SIGNIFICANCE:
Linked to diseases like congenital heart defects and 46,XX sex reversal 5 through gene variants, COUP transcription factor 2's study offers a promising avenue for developing targeted treatments for these genetic conditions.

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