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.
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.
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.
We employ our advanced, specialised process to create targeted 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
Q9NUQ7
UPID:
UFSP2_HUMAN
Alternative names:
-
Alternative UPACC:
Q9NUQ7; Q6IA77; Q96FS3
Background:
Ufm1-specific protease 2 plays a crucial role in cellular processes by hydrolyzing the peptide bond at the C-terminal Gly of UFM1, a ubiquitin-like modifier protein. This action is pivotal for regulating cell proliferation and differentiation through the modulation of nuclear receptors transactivation.
Therapeutic significance:
The protein is linked to diseases such as Beukes familial hip dysplasia, Spondyloepimetaphyseal dysplasia, Di Rocco type, and Developmental and epileptic encephalopathy 106. Understanding its role could lead to novel therapeutic strategies for these conditions.