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.
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 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.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library is unique due to several crucial 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.