AI-ACCELERATED DRUG DISCOVERY

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

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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.

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

 Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

Our library stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q9UKY4

UPID:

POMT2_HUMAN

Alternative names:

Dolichyl-phosphate-mannose--protein mannosyltransferase 2

Alternative UPACC:

Q9UKY4; Q9NSG6; Q9P1W0; Q9P1W2

Background:

Protein O-mannosyl-transferase 2, also known as Dolichyl-phosphate-mannose--protein mannosyltransferase 2, plays a crucial role in transferring mannosyl residues to serine or threonine residues. This process requires the coexpression of POMT1 and POMT2 for enzyme activity, highlighting its specificity in O-mannosylation of alpha-DAG1 and select proteins.

Therapeutic significance:

The protein is implicated in various forms of muscular dystrophy-dystroglycanopathy, including congenital forms with brain and eye anomalies, and limb-girdle muscular dystrophy. These associations underline the protein's potential as a target for therapeutic strategies aimed at treating these debilitating diseases.

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