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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
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.
We employ our advanced, specialised process to create targeted 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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q01201
UPID:
RELB_HUMAN
Alternative names:
I-Rel
Alternative UPACC:
Q01201; Q6GTX7; Q9UEI7
Background:
Transcription factor RelB, known as I-Rel, plays a pivotal role in inflammation, immunity, and cell differentiation. It forms part of the NF-kappa-B complex, crucial for DNA binding and gene transcription. RelB's unique interactions and activation pathways underscore its importance in cellular processes and stress responses.
Therapeutic significance:
RelB's involvement in Immunodeficiency 53, characterized by severe autoimmune disorders and recurrent infections, highlights its potential as a therapeutic target. Understanding RelB's role could lead to novel treatments for this immunodeficiency and other autoimmune diseases.