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.
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.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q14134
UPID:
TRI29_HUMAN
Alternative names:
Ataxia telangiectasia group D-associated protein
Alternative UPACC:
Q14134; Q96AA9; Q9BZY7
Background:
Tripartite motif-containing protein 29 (TRIM29), also known as Ataxia telangiectasia group D-associated protein, plays a pivotal role in immune response regulation. Specifically, TRIM29 modulates macrophage activation during viral or bacterial infections in the respiratory tract by interacting with IKBKG/NEMO in the lysosome, leading to its degradation through 'Lys-48' ubiquitination. This process inhibits the expression of type I interferons and the production of pro-inflammatory cytokines. Additionally, TRIM29 targets STING1 for 'Lys-48' ubiquitination and degradation.
Therapeutic significance:
Understanding the role of Tripartite motif-containing protein 29 could open doors to potential therapeutic strategies.