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.
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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our top-notch dedicated system is used to design specialised 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 stands out due to several important features:
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.