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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We use our state-of-the-art dedicated workflow for designing 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
P29017
UPID:
CD1C_HUMAN
Alternative names:
-
Alternative UPACC:
P29017; Q5TDJ7; Q6IAS4; Q9UMM0; Q9UN96
Background:
T-cell surface glycoprotein CD1c plays a pivotal role in the immune system by presenting lipid and glycolipid antigens to T-cell receptors on natural killer T-cells. This process is crucial for the activation and regulation of natural killer T-cells, which are key players in the body's defense against pathogens and in immune regulation.
Therapeutic significance:
Understanding the role of T-cell surface glycoprotein CD1c could open doors to potential therapeutic strategies. Its involvement in antigen presentation suggests it could be a target for modulating immune responses, offering pathways for novel treatments in immune-related diseases.