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

Focused On-demand Libraries - Reaxense 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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

Reaxense

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:

E3 ubiquitin-protein ligase MIB2, known for its pivotal role in mediating ubiquitination of Delta receptors, is crucial in the Notch signaling pathway. This protein, also recognized by alternative names such as Mind bomb homolog 2 and Zinc finger ZZ type with ankyrin repeat domain protein 1, facilitates the endocytosis of Delta receptors by ubiquitinating their intracellular domain, thereby positively regulating Delta-mediated Notch signaling.

Therapeutic significance:

Understanding the role of E3 ubiquitin-protein ligase MIB2 could open doors to potential therapeutic strategies. Its involvement in the Notch signaling pathway, a key player in cell differentiation and proliferation, suggests its potential as a target in therapeutic interventions aimed at modulating these processes.