Focused On-demand Libraries - Receptor.AI Collaboration


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. Reaxense aids in their synthesis and provision.


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.


Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.


 

Fig. 1. The screening 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:


  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.

  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.

  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.

  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.


PARTNER
Receptor.AI
 
UPACC
P20711

UPID:
DDC_HUMAN

ALTERNATIVE NAMES:
DOPA decarboxylase

ALTERNATIVE UPACC:
P20711; C9IYA0; E7ER62; E7EU95; Q16723; Q5W5T9; Q75MJ6

BACKGROUND:
Aromatic-L-amino-acid decarboxylase, known for converting L-DOPA to dopamine and L-5-hydroxytryptophan to serotonin, is essential for neurotransmission. Its alternative name, DOPA decarboxylase, highlights its role in dopamine and serotonin production.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Aromatic-L-amino-acid decarboxylase could open doors to potential therapeutic strategies. Its direct involvement in Aromatic L-amino-acid decarboxylase deficiency, a disorder affecting neurotransmitter metabolism, highlights its significance in developing treatments for neurological conditions.

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