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 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 utilise our cutting-edge, exclusive workflow to develop focused 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q92519
UPID:
TRIB2_HUMAN
Alternative names:
-
Alternative UPACC:
Q92519; B2R851; D6W510
Background:
Tribbles homolog 2, identified by the accession number Q92519, plays a crucial role in cellular signaling pathways. It interacts with MAPK kinases, facilitating the activation of MAP kinases without exhibiting kinase activity itself. This interaction is pivotal in transmitting signals within the cell that dictate various cellular responses.
Therapeutic significance:
Understanding the role of Tribbles homolog 2 could open doors to potential therapeutic strategies. Its involvement in key signaling pathways suggests that modulating its activity could have implications for treating diseases where these pathways are dysregulated.