Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 high-tech, dedicated method is applied to construct targeted 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9NV58
UPID:
RN19A_HUMAN
Alternative names:
Double ring-finger protein; RING finger protein 19A; p38
Alternative UPACC:
Q9NV58; A3KCU9; Q52LG1; Q9H5H9; Q9H8M8; Q9UFG0; Q9UFX6; Q9Y4Y1
Background:
E3 ubiquitin-protein ligase RNF19A, also known as Double ring-finger protein, RING finger protein 19A, and p38, plays a crucial role in protein ubiquitination. It collaborates with E2 ubiquitin-conjugating enzymes UBE2L3 and UBE2L6, transferring ubiquitin to substrates like SNCAIP or CASR. Notably, it targets pathogenic SOD1 variants for proteasomal degradation, offering neuronal protection.
Therapeutic significance:
Understanding the role of E3 ubiquitin-protein ligase RNF19A could open doors to potential therapeutic strategies.