Focused On-demand Library for E3 ubiquitin-protein ligase MIB2

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


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


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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
Q96AX9

UPID:
MIB2_HUMAN

ALTERNATIVE NAMES:
Mind bomb homolog 2; Novel zinc finger protein; Putative NF-kappa-B-activating protein 002N; RING-type E3 ubiquitin transferase MIB2; Skeletrophin; Zinc finger ZZ type with ankyrin repeat domain protein 1

ALTERNATIVE UPACC:
Q96AX9; A2AGM5; A2AGM6; B3KV93; B3KVF4; B3KXY1; B4DZ57; E9PGU1; E9PHQ1; F8WA73; J3KNZ7; Q7Z437; Q8IY62; Q8N786; Q8N897; Q8N8R2; Q8N911; Q8NB36; Q8NCY1; Q8NG59; Q8NG60; Q8NG61; Q8NI59; Q8WYN1

BACKGROUND:
The protein E3 ubiquitin-protein ligase MIB2 serves as an E3 ubiquitin ligase, targeting Delta receptors for ubiquitination and playing a significant role in the Notch signaling pathway. It is known by several names, including RING-type E3 ubiquitin transferase MIB2 and Skeletrophin, highlighting its diverse functions and structural characteristics. By ubiquitinating the intracellular domain of Delta, MIB2 facilitates the endocytosis of these receptors, thus enhancing Notch signaling.

THERAPEUTIC SIGNIFICANCE:
The exploration of E3 ubiquitin-protein ligase MIB2's function offers promising avenues for drug discovery. Given its critical role in the Notch signaling pathway, which is integral to cellular development and homeostasis, targeting MIB2 could lead to innovative treatments for diseases where Notch signaling is dysregulated.

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