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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
O15541
UPID:
R113A_HUMAN
Alternative names:
Cwc24 homolog; RING finger protein 113A; Zinc finger protein 183
Alternative UPACC:
O15541; B2RBR7
Background:
E3 ubiquitin-protein ligase RNF113A, also known as Cwc24 homolog, RING finger protein 113A, and Zinc finger protein 183, plays a crucial role in cellular processes. It is essential for pre-mRNA splicing within the spliceosome, involved in U12-type intron splicing, and acts as an E3 ubiquitin-protein ligase. RNF113A is pivotal in DNA repair, signaling termination, and protein degradation, highlighting its multifunctionality in cellular homeostasis.
Therapeutic significance:
RNF113A's involvement in Trichothiodystrophy 5, a condition marked by developmental defects and immune system abnormalities, underscores its therapeutic potential. Understanding RNF113A's role could pave the way for innovative treatments targeting genetic and cellular dysfunctions underlying this disorder.