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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P14902
UPID:
I23O1_HUMAN
Alternative names:
Indoleamine-pyrrole 2,3-dioxygenase
Alternative UPACC:
P14902; E5RGR8; F6M9T7; Q540B4
Background:
Indoleamine 2,3-dioxygenase 1 (IDO1), also known as Indoleamine-pyrrole 2,3-dioxygenase, plays a pivotal role in tryptophan catabolism through the kynurenine pathway. This enzyme's activity is crucial for maintaining immune tolerance by preventing autoimmune diseases and immunopathology through the regulation of T lymphocytes and the promotion of regulatory T-cells differentiation.
Therapeutic significance:
Understanding the role of Indoleamine 2,3-dioxygenase 1 could open doors to potential therapeutic strategies. Its involvement in immune tolerance and suppression of anti-tumor immunity highlights its potential as a target for developing treatments aimed at enhancing anti-tumor responses or controlling autoimmune diseases.