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 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
A6NNE9
UPID:
MARHB_HUMAN
Alternative names:
Membrane-associated RING finger protein 11; Membrane-associated RING-CH protein XI; RING-type E3 ubiquitin transferase MARCHF11
Alternative UPACC:
A6NNE9; A7E2S6
Background:
E3 ubiquitin-protein ligase MARCHF11, also known as Membrane-associated RING finger protein 11, plays a pivotal role in the polyubiquitination of CD4. This process is crucial for ubiquitin-dependent protein sorting, especially in developing spermatids. The enzyme operates by accepting ubiquitin from an E2 ubiquitin-conjugating enzyme and transferring it directly to targeted substrates.
Therapeutic significance:
Understanding the role of E3 ubiquitin-protein ligase MARCHF11 could open doors to potential therapeutic strategies.