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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We use our state-of-the-art dedicated workflow for designing focused 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 is unique due to several crucial aspects:
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.