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.
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 utilise our cutting-edge, exclusive workflow to develop 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
O14920
UPID:
IKKB_HUMAN
Alternative names:
I-kappa-B kinase 2; Nuclear factor NF-kappa-B inhibitor kinase beta; Serine/threonine protein kinase IKBKB
Alternative UPACC:
O14920; B4DZ30; B4E0U4; O75327
Background:
Inhibitor of nuclear factor kappa-B kinase subunit beta (IKBKB) is a pivotal serine kinase in the NF-kappa-B signaling pathway, activated by various stimuli including inflammatory cytokines and cellular stresses. It phosphorylates NF-kappa-B inhibitors, leading to their degradation and the subsequent activation of NF-kappa-B, a transcription factor vital for immune response and cell survival.
Therapeutic significance:
IKBKB's role in immune response regulation is linked to diseases such as Immunodeficiency 15A and 15B, characterized by severe infections and immune system dysfunction. Targeting IKBKB could offer novel therapeutic strategies for these primary immunodeficiency disorders.