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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q9ULX5
UPID:
RN112_HUMAN
Alternative names:
Brain finger protein; Zinc finger protein 179
Alternative UPACC:
Q9ULX5; O60633; Q7Z5V9
Background:
RING finger protein 112, also known as Brain finger protein and Zinc finger protein 179, plays a pivotal role in neuronal differentiation, including neurogenesis and gliogenesis, during brain development. It initiates neuronal differentiation by inducing cell cycle arrest and up-regulating cell-cycle regulatory proteins. Additionally, it contributes to the maintenance of neural functions and protects nervous tissue cells from oxidative stress-induced damage, showcasing GTPase and E3 ubiquitin-protein ligase activities.
Therapeutic significance:
Understanding the role of RING finger protein 112 could open doors to potential therapeutic strategies.