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

Focused On-demand Libraries - Reaxense 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.

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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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

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.