Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
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 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q16878
UPID:
CDO1_HUMAN
Alternative names:
Cysteine dioxygenase type I
Alternative UPACC:
Q16878; B2RAK4; P78513; Q6FHZ8; Q8TB64
Background:
Cysteine dioxygenase type 1, alternatively known as Cysteine dioxygenase type I, plays a crucial role in sulfur amino acid metabolism by catalyzing the oxidation of cysteine to cysteine sulfinic acid with the addition of molecular dioxygen. This enzymatic activity is vital for maintaining cysteine homeostasis in the body.
Therapeutic significance:
Understanding the role of Cysteine dioxygenase type 1 could open doors to potential therapeutic strategies. Its pivotal function in amino acid metabolism suggests its involvement in various metabolic disorders, offering a promising avenue for research and drug development.