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

Focused On-demand Libraries - Reaxense 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. Our collaborator, 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 for enzymes.

Fig. 1. The sreening 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 stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's 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.