Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q6P9F5
UPID:
TRI40_HUMAN
Alternative names:
Probable E3 NEDD8-protein ligase; RING finger protein 35
Alternative UPACC:
Q6P9F5; Q5SRJ6; Q5SS36; Q8TD96
Background:
E3 ubiquitin ligase TRIM40, also known as Probable E3 NEDD8-protein ligase and RING finger protein 35, is a pivotal enzyme in the ubiquitin-proteasome system. It plays a crucial role in limiting the innate immune response by targeting RIGI and IFIH1 receptors for proteasomal degradation. Additionally, it facilitates the neddylation of IKBKG/NEMO, which stabilizes NFKBIA, inhibiting NF-kappa-B nuclear translocation and activation.
Therapeutic significance:
Understanding the role of E3 ubiquitin ligase TRIM40 could open doors to potential therapeutic strategies.