Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We employ our advanced, specialised process to create targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9NR96
UPID:
TLR9_HUMAN
Alternative names:
-
Alternative UPACC:
Q9NR96; B3Y661; D1CS56; Q6UVZ2; Q9HD68; Q9HD69; Q9HD70; Q9NYC2; Q9NYC3
Background:
Toll-like receptor 9 (TLR9) plays a pivotal role in the immune system, recognizing specific molecular patterns of microorganisms. It is activated by CpG dinucleotides, leading to an immune response through MYD88 and TRAF6, resulting in NF-kappa-B activation and cytokine secretion. TLR9's involvement extends to controlling lymphocyte responses to infections and stimulating B-cell proliferation and antibody production.
Therapeutic significance:
Understanding the role of Toll-like receptor 9 could open doors to potential therapeutic strategies, particularly in enhancing immune responses against pathogens and regulating immune-related disorders.