Focused On-demand Library for E3 ubiquitin-protein ligase MARCHF6

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

Our top-notch dedicated system is used to design specialised 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.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

O60337

UPID:

MARH6_HUMAN

Alternative names:

Doa10 homolog; Membrane-associated RING finger protein 6; Membrane-associated RING-CH protein VI; Protein TEB-4; RING finger protein 176; RING-type E3 ubiquitin transferase MARCHF6

Alternative UPACC:

O60337; A5PKZ4; B4DKJ2; B4DT33; D3DTC8; O14670; Q86X77

Background:

E3 ubiquitin-protein ligase MARCHF6, also known as Membrane-associated RING-CH protein VI, plays a pivotal role in protein homeostasis by promoting 'Lys-48'-linked ubiquitination. This process targets proteins such as DIO2 and SQLE for proteasomal degradation, crucial for cellular function and health.

Therapeutic significance:

Linked to Epilepsy, familial adult myoclonic, 3 (FAME3), MARCHF6's involvement in neurological disorders highlights its potential as a therapeutic target. Understanding MARCHF6's role could pave the way for innovative treatments for epilepsy and related conditions.