Focused On-demand Library for Protein O-mannosyl-transferase 2

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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by 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.


We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.


Our library distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
Q9UKY4

UPID:
POMT2_HUMAN

ALTERNATIVE NAMES:
Dolichyl-phosphate-mannose--protein mannosyltransferase 2

ALTERNATIVE UPACC:
Q9UKY4; Q9NSG6; Q9P1W0; Q9P1W2

BACKGROUND:
Dolichyl-phosphate-mannose--protein mannosyltransferase 2, or Protein O-mannosyl-transferase 2, is essential for enzyme activity in O-mannosylation, affecting only alpha-DAG1 and a few other proteins. Its activity is contingent upon the coexpression with POMT1, underscoring its specialized function.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Protein O-mannosyl-transferase 2 could open doors to potential therapeutic strategies for treating muscular dystrophy-dystroglycanopathy, including severe forms like Walker-Warburg syndrome and muscle-eye-brain disease, by targeting the underlying genetic variants.

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