Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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 employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Key features that set our library apart include:
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.