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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P01833
UPID:
PIGR_HUMAN
Alternative names:
Hepatocellular carcinoma-associated protein TB6
Alternative UPACC:
P01833; Q68D81; Q8IZY7
Background:
The Polymeric Immunoglobulin Receptor (PIGR), also known as Hepatocellular carcinoma-associated protein TB6, plays a crucial role in immune defense. It mediates the transcytosis of IgA and IgM across mucosal epithelial cells, ensuring their secretion at the apical surface. This process involves the cleavage of PIGR, releasing the secretory component that binds and neutralizes pathogens.
Therapeutic significance:
Understanding the role of Polymeric Immunoglobulin Receptor could open doors to potential therapeutic strategies.