Focused On-demand Library for Probable E3 ubiquitin-protein ligase IRF2BPL

Focused On-demand Libraries - Receptor.AI 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.


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


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


Our top-notch dedicated system is used to design specialised libraries for enzymes.


 

Fig. 1. The screening 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.


Our library distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
Q9H1B7

UPID:
I2BPL_HUMAN

ALTERNATIVE NAMES:
Enhanced at puberty protein 1; Interferon regulatory factor 2-binding protein-like

ALTERNATIVE UPACC:
Q9H1B7; Q8NDQ2; Q96JG2; Q9H3I7

BACKGROUND:
Probable E3 ubiquitin-protein ligase IRF2BPL, alternatively named Enhanced at puberty protein 1 and Interferon regulatory factor 2-binding protein-like, is involved in the ubiquitin-dependent proteasome degradation pathway. It serves a critical function in inhibiting the Wnt signaling pathway through CTNNB1 degradation and is essential for central nervous system development and the maintenance of neuronal functions. IRF2BPL also influences gene transcription related to female reproductive health.

THERAPEUTIC SIGNIFICANCE:
Linked to a severe neurodevelopmental disorder, IRF2BPL's dysfunction manifests as global developmental delays, seizures, and progressive ataxia. The exploration of IRF2BPL's functions and mechanisms offers a promising avenue for developing targeted treatments for this debilitating condition.

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