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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q9P0N8
UPID:
MARH2_HUMAN
Alternative names:
Membrane-associated RING finger protein 2; Membrane-associated RING-CH protein II; RING finger protein 172; RING-type E3 ubiquitin transferase MARCHF2
Alternative UPACC:
Q9P0N8; A6NP10; Q5H785; Q8N5A3; Q96B78
Background:
E3 ubiquitin-protein ligase MARCHF2, also known as Membrane-associated RING-CH protein II, plays a crucial role in cellular processes through the ubiquitination of TFRC, CD86, and other substrates, facilitating their endocytosis and lysosomal degradation. It is involved in the regulation of intracellular trafficking, immune response repression, and viral protein degradation.
Therapeutic significance:
Understanding the role of E3 ubiquitin-protein ligase MARCHF2 could open doors to potential therapeutic strategies.