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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
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 high-tech, dedicated method is applied to construct targeted 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.
Our library stands out due to several important features:
partner
Reaxense
upacc
P20711
UPID:
DDC_HUMAN
Alternative names:
DOPA decarboxylase
Alternative UPACC:
P20711; C9IYA0; E7ER62; E7EU95; Q16723; Q5W5T9; Q75MJ6
Background:
Aromatic-L-amino-acid decarboxylase, also known as DOPA decarboxylase, plays a pivotal role in neurotransmitter metabolism. It catalyzes the decarboxylation of L-3,4-dihydroxyphenylalanine (DOPA) to dopamine and L-5-hydroxytryptophan to serotonin, crucial for brain function.
Therapeutic significance:
The enzyme's deficiency, Aromatic L-amino-acid decarboxylase deficiency, manifests in severe neurological symptoms like developmental delay and psychomotor impairment. This autosomal recessive disorder underscores the enzyme's therapeutic potential in addressing neurotransmitter-related diseases.