Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
We employ our advanced, specialised process to create targeted 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P11926
UPID:
DCOR_HUMAN
Alternative names:
-
Alternative UPACC:
P11926; Q53TU3; Q6LDS9
Background:
Ornithine decarboxylase catalyzes the first and rate-limiting step in polyamine biosynthesis, converting ornithine into putrescine. This process is crucial for cell proliferation, impacting DNA replication to apoptosis.
Therapeutic significance:
Linked to Bachmann-Bupp syndrome, characterized by developmental delays and neuroimaging abnormalities, understanding ornithine decarboxylase's role could unveil new therapeutic strategies.