Focused On-demand Library for E3 ubiquitin-protein ligase MARCHF4

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 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 employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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

Reaxense

upacc

Q9P2E8

UPID:

MARH4_HUMAN

Alternative names:

Membrane-associated RING finger protein 4; Membrane-associated RING-CH protein IV; RING finger protein 174; RING-type E3 ubiquitin transferase MARCHF4

Alternative UPACC:

Q9P2E8; Q4KMN7; Q86WR8

Background:

E3 ubiquitin-protein ligase MARCHF4, also known as Membrane-associated RING finger protein 4, plays a crucial role in the ubiquitination process. It specifically targets MHC-I and CD4 for ubiquitination, leading to their endocytosis and degradation in lysosomes. This process is vital for regulating immune responses and maintaining cellular homeostasis.

Therapeutic significance:

Understanding the role of E3 ubiquitin-protein ligase MARCHF4 could open doors to potential therapeutic strategies. Its involvement in the ubiquitination and degradation of key immune system proteins positions it as a target for modulating immune responses in diseases.