Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.
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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P35270
UPID:
SPRE_HUMAN
Alternative names:
-
Alternative UPACC:
P35270; A8K741; D6W5H2; Q53GI9; Q9UBB1
Background:
Sepiapterin reductase plays a crucial role in the biosynthesis of tetrahydrobiopterin (BH4), catalyzing its final reductions. BH4 is essential for the production of neurotransmitters like dopamine and serotonin.
Therapeutic significance:
Its deficiency is linked to DOPA-responsive dystonia, characterized by dystonia, spasticity, and cognitive anomalies due to dopamine and serotonin deficiencies. Understanding the role of Sepiapterin reductase could open doors to potential therapeutic strategies.