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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q8TDX5
UPID:
ACMSD_HUMAN
Alternative names:
Picolinate carboxylase
Alternative UPACC:
Q8TDX5; Q3B7X3; Q53SR5; Q96KY2
Background:
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase, also known as Picolinate carboxylase, plays a crucial role in tryptophan catabolism along the kynurenine pathway. It converts alpha-amino-beta-carboxymuconate-epsilon-semialdehyde (ACMS) to alpha-aminomuconate semialdehyde (AMS), steering the metabolic process away from producing quinolate, a neurotoxic compound.
Therapeutic significance:
Understanding the role of 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase could open doors to potential therapeutic strategies, especially in the context of neurodegenerative disorders where quinolate's toxicity is a concern.