Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by Reaxense.


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 employ our advanced, specialised process to create targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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
Q9BZQ6

UPID:
EDEM3_HUMAN

ALTERNATIVE NAMES:
Alpha-1,2-mannosidase EDEM3

ALTERNATIVE UPACC:
Q9BZQ6; B2RCH6; B7ZLZ2; Q0VGM5; Q5TEZ0; Q7L2Y5; Q9HCW1; Q9UFV7

BACKGROUND:
Alpha-1,2-mannosidase EDEM3, a crucial enzyme in glycoprotein biosynthesis, is involved in mannose trimming from Man8GlcNAc2 to Man7GlcNAc2 in N-glycans. This process is vital for the proper degradation of misfolded glycoproteins, highlighting its significance in cellular homeostasis.

THERAPEUTIC SIGNIFICANCE:
Given EDEM3's critical function in glycoprotein biosynthesis and its association with Congenital disorder of glycosylation 2V, targeting EDEM3 could offer a promising approach to treat a range of glycosylation-related disorders. Understanding the role of EDEM3 could open doors to potential therapeutic strategies.

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