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 for receptors.
Fig. 1. The sreening workflow of Receptor.AI
It features thorough molecular simulations of the receptor within its native membrane environment, complemented by ensemble virtual screening that considers its conformational mobility. For dimeric or oligomeric receptors, the full functional complex is constructed, and tentative binding sites are determined on and between the subunits to cover the entire spectrum of potential mechanisms of action.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9NR97
UPID:
TLR8_HUMAN
Alternative names:
-
Alternative UPACC:
Q9NR97; B3Y654; D1CS70; D1CS76; Q495P4; Q6UXL6; Q9NYG9
Background:
Toll-like receptor 8 (TLR8) is an endosomal receptor crucial for innate and adaptive immunity. It identifies RNA degradation products unique to microorganisms, including GU-rich RNA from viruses like SARS-CoV-2 and HIV-1. TLR8 activation leads to dimerization, recruitment of MYD88, and formation of the Myddosome signaling complex, triggering pro-inflammatory cytokines and interferons production.
Therapeutic significance:
Immunodeficiency 98 with autoinflammation, X-linked, is linked to TLR8 gene variants. Understanding TLR8's role could unveil new therapeutic strategies for treating infections and autoinflammatory conditions.