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 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 utilise our cutting-edge, exclusive workflow to develop focused 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
Q9UNP9
UPID:
PPIE_HUMAN
Alternative names:
Cyclophilin E; Cyclophilin-33; Rotamase E
Alternative UPACC:
Q9UNP9; B2R971; O43634; O43635; Q32Q72; Q3S611; Q5TGA0; Q5TGA2; Q5TGA3; Q9UIZ5
Background:
Peptidyl-prolyl cis-trans isomerase E, also known as Cyclophilin E, Cyclophilin-33, and Rotamase E, plays a crucial role in pre-mRNA splicing as part of the spliceosome. It exhibits RNA-binding and PPIase activities, favoring single-stranded RNA molecules with poly-A and poly-U stretches. This protein is also involved in the cis-trans isomerization of proline imidic peptide bonds in proteins and inhibits KMT2A activity, a function dependent on its proline isomerase activity.
Therapeutic significance:
Understanding the role of Peptidyl-prolyl cis-trans isomerase E could open doors to potential therapeutic strategies.