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.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q5VV17
UPID:
OTUD1_HUMAN
Alternative names:
DUBA-7
Alternative UPACC:
Q5VV17
Background:
OTU domain-containing protein 1 (OTUD1), also known as DUBA-7, plays a crucial role in cellular processes by specifically hydrolyzing 'Lys-63'-linked polyubiquitin to monoubiquitin. This action is vital for the stability and translation of mRNAs rich in rare codons, through deubiquitination of the 40S ribosomal protein RPS10/eS10. OTUD1's activity counteracts ZNF598-mediated ubiquitination, ensuring efficient translation and preventing ribosome quality control (RQC) pathway activation.
Therapeutic significance:
Understanding the role of OTU domain-containing protein 1 could open doors to potential therapeutic strategies.