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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.


We utilise our cutting-edge, exclusive workflow to develop focused libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.


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
Q8WW38

UPID:
FOG2_HUMAN

ALTERNATIVE NAMES:
Friend of GATA protein 2; Zinc finger protein 89B; Zinc finger protein multitype 2

ALTERNATIVE UPACC:
Q8WW38; Q32MA6; Q9NPL7; Q9NPS4; Q9UNI5

BACKGROUND:
The Zinc finger protein ZFPM2, with alternative names such as Friend of GATA protein 2, is essential in heart development and coronary vessel formation. It acts by regulating key genes in cardiogenesis through heterodimer formation with GATA4, GATA5, and GATA6 transcription factors. ZFPM2's role extends to gonadal differentiation, highlighting its importance in developmental biology.

THERAPEUTIC SIGNIFICANCE:
ZFPM2's association with diseases like Tetralogy of Fallot and Conotruncal heart malformations underscores its potential as a therapeutic target. By elucidating the mechanisms by which ZFPM2 influences heart development and disease, novel treatment avenues for these congenital heart defects may be discovered.

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