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.
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.
Our high-tech, dedicated method is applied to construct 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P01848
UPID:
TRAC_HUMAN
Alternative names:
-
Alternative UPACC:
P01848; A0A087WWC6
Background:
The T cell receptor alpha chain constant plays a pivotal role in the immune response, being part of the alpha-beta T cell receptors that recognize peptide-major histocompatibility complexes. This recognition is crucial for T cell adaptive immunity against pathogens. The protein is involved in the activation of several signaling pathways essential for T cell growth and differentiation.
Therapeutic significance:
Given its central role in immune response, understanding the T cell receptor alpha chain constant could open doors to potential therapeutic strategies for Immunodeficiency 7, a disorder characterized by recurrent infections and immune dysregulation.