Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. 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.


Our top-notch dedicated system is used to design specialised libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.


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
Q96MG8

UPID:
PCMD1_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
Q96MG8; F5H1M8; Q96FK9

BACKGROUND:
The Protein-L-isoaspartate O-methyltransferase domain-containing protein 1, with the unique identifier Q96MG8, is integral to the ECS E3 ubiquitin ligase complex, mediating critical protein degradation processes. It uniquely interacts with S-adenosylmethionine (AdoMet), a key methyltransferase cofactor, through a specialized binding motif. This interaction, however, does not confer methyltransferase activity. Instead, it positions the protein as a specialized adaptor within the ubiquitin-proteasome system, potentially targeting damaged or modified proteins for degradation.

THERAPEUTIC SIGNIFICANCE:
The exploration of Protein-L-isoaspartate O-methyltransferase domain-containing protein 1's function offers a promising avenue for therapeutic intervention. By elucidating its role in protein degradation and maintenance, novel drug targets may emerge, paving the way for innovative treatments that harness the ubiquitin-proteasome system.

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