Focused On-demand Library for E3 ubiquitin-protein ligase MARCHF8

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We employ our advanced, specialised process to create 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.

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

Q5T0T0

UPID:

MARH8_HUMAN

Alternative names:

Cellular modulator of immune recognition; Membrane-associated RING finger protein 8; Membrane-associated RING-CH protein VIII; RING finger protein 178; RING-type E3 ubiquitin transferase MARCHF8

Alternative UPACC:

Q5T0T0; B2R8E7; H0Y7C6; Q5T0S8; Q8TC72

Background:

E3 ubiquitin-protein ligase MARCHF8, also known as Membrane-associated RING-CH protein VIII, plays pivotal roles in immune response regulation. It mediates ubiquitination of key immune proteins, including CD86 and MHC class II, facilitating their lysosomal degradation. MARCHF8 exhibits broad antiviral activity by targeting viral envelope glycoproteins for degradation, effectively inhibiting viruses such as HIV, Ebola, and influenza.

Therapeutic significance:

Understanding the role of E3 ubiquitin-protein ligase MARCHF8 could open doors to potential therapeutic strategies. Its ability to regulate immune responses and inhibit a wide range of viruses highlights its potential as a target for developing treatments for viral infections and immune-related disorders.