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.
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 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 use our state-of-the-art dedicated workflow for designing focused libraries for receptors.
Fig. 1. The sreening workflow of Receptor.AI
The method involves detailed molecular simulations of the receptor in its native membrane environment, with ensemble virtual screening focusing on its conformational mobility. When dealing with dimeric or oligomeric receptors, the whole functional complex is modelled, and the tentative binding pockets on and between the subunits are established to address all possible mechanisms of action.
Key features that set our library apart include:
partner
Reaxense
upacc
P25025
UPID:
CXCR2_HUMAN
Alternative names:
CDw128b; GRO/MGSA receptor; High affinity interleukin-8 receptor B; IL-8 receptor type 2
Alternative UPACC:
P25025; Q8IUZ1; Q9P2T6; Q9P2T7
Background:
C-X-C chemokine receptor type 2 (CXCR2), also known as high affinity interleukin-8 receptor B, plays a pivotal role in immune responses. It functions as a receptor for interleukin-8, a potent neutrophil chemotactic factor, facilitating the activation of neutrophils through a G-protein mediated phosphatidylinositol-calcium second messenger system. CXCR2 binds to IL-8 with high affinity, alongside other ligands such as CXCL3, GRO/MGSA, and NAP-2.
Therapeutic significance:
CXCR2's involvement in WHIM syndrome 2, characterized by warts, hypogammaglobulinemia, infections, and myelokathexis, underscores its therapeutic potential. Targeting CXCR2 could lead to innovative treatments for this immunodeficiency disorder, offering hope for patients with this and potentially other neutrophil-related diseases.