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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
O00507
UPID:
USP9Y_HUMAN
Alternative names:
Deubiquitinating enzyme FAF-Y; Fat facets protein-related, Y-linked; Ubiquitin thioesterase FAF-Y; Ubiquitin-specific protease 9, Y chromosome; Ubiquitin-specific-processing protease FAF-Y
Alternative UPACC:
O00507; O14601
Background:
Probable ubiquitin carboxyl-terminal hydrolase FAF-Y, also known as USP9Y, plays a crucial role in protein turnover by deubiquitinating proteins, thus preventing their degradation. It is an essential component of the TGF-beta/BMP signaling cascade, where it deubiquitinates SMAD4, facilitating TGF-beta signaling.
Therapeutic significance:
USP9Y's involvement in spermatogenic failure Y-linked 2, a condition leading to male infertility, underscores its potential as a target for therapeutic intervention. Understanding the role of USP9Y could open doors to potential therapeutic strategies.