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.
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.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We use our state-of-the-art dedicated workflow for designing 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.
Key features that set our library apart include:
partner
Reaxense
upacc
O15033
UPID:
AREL1_HUMAN
Alternative names:
Apoptosis-resistant HECT-type E3 ubiquitin transferase 1
Alternative UPACC:
O15033; B4E2C7; Q7LDY1; Q8IYY9
Background:
Apoptosis-resistant E3 ubiquitin protein ligase 1, alternatively known as Apoptosis-resistant HECT-type E3 ubiquitin transferase 1, plays a crucial role in ubiquitination processes. It catalyzes 'Lys-11'- or 'Lys-33'-linked polyubiquitin chains, showing a preference for 'Lys-33' linkages. This enzyme accepts ubiquitin from an E2 ubiquitin-conjugating enzyme and transfers it to targeted substrates, including SEPTIN4, DIABLO/SMAC, and HTRA2.
Therapeutic significance:
Understanding the role of Apoptosis-resistant E3 ubiquitin protein ligase 1 could open doors to potential therapeutic strategies. Its ability to modulate pulmonary inflammation by targeting SOCS2 for ubiquitination and degradation highlights its significance in inflammatory pathways.