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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
Q6ZNA4
UPID:
RN111_HUMAN
Alternative names:
RING finger protein 111; RING-type E3 ubiquitin transferase Arkadia
Alternative UPACC:
Q6ZNA4; C9JUS4; H0YN55; Q6P9A4; Q6ZMU2; Q7L428; Q7Z346; Q8N1P9; Q8WUA3; Q9NSR1
Background:
E3 ubiquitin-protein ligase Arkadia, also known as RING finger protein 111, plays a pivotal role in cellular processes by mediating ubiquitination and degradation of SMAD inhibitors, thus enhancing the transcriptional activity of TGF-beta and BMP. It is essential for mesoderm patterning during embryonic development and activates SMAD3/SMAD4-dependent transcription. Arkadia's interaction with UBE2D2 and its ability to bind polysumoylated chains underscore its significance in protein regulation.
Therapeutic significance:
Understanding the role of E3 ubiquitin-protein ligase Arkadia could open doors to potential therapeutic strategies.