Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We use our state-of-the-art dedicated workflow for designing 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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9BRZ2
UPID:
TRI56_HUMAN
Alternative names:
RING finger protein 109; Tripartite motif-containing protein 56
Alternative UPACC:
Q9BRZ2; Q6PJS5; Q86VT6; Q8N2H8; Q8NAC0; Q9H031
Background:
E3 ubiquitin-protein ligase TRIM56, also known as RING finger protein 109, plays a pivotal role in antiviral immunity. It mediates the ubiquitination of CGAS and STING1, crucial for the production of type I interferon IFN-beta and the activation of NF-kappa-B signaling, enhancing the body's antiviral response.
Therapeutic significance:
Understanding the role of E3 ubiquitin-protein ligase TRIM56 could open doors to potential therapeutic strategies. Its involvement in innate antiviral immunity and NF-kappa-B signaling pathways presents a promising target for developing treatments against viral infections and inflammatory conditions.