Focused On-demand Library for E3 ubiquitin-protein ligase MARCHF1

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.

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.

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

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q8TCQ1

UPID:

MARH1_HUMAN

Alternative names:

Membrane-associated RING finger protein 1; Membrane-associated RING-CH protein I; RING finger protein 171; RING-type E3 ubiquitin transferase MARCHF1

Alternative UPACC:

Q8TCQ1; D3DP29; Q9NWR0

Background:

E3 ubiquitin-protein ligase MARCHF1, also known as Membrane-associated RING finger protein 1, plays a pivotal role in the immune system. It mediates the ubiquitination of several key proteins including TFRC, CD86, FAS, and MHC class II proteins, facilitating their endocytosis and degradation. This process is crucial in regulating the presentation of antigens and modulating immune responses.

Therapeutic significance:

Understanding the role of E3 ubiquitin-protein ligase MARCHF1 could open doors to potential therapeutic strategies. Its involvement in antigen presentation and immune regulation highlights its potential as a target in treating autoimmune diseases and enhancing vaccine efficacy.