Focused On-demand Library for GPI mannosyltransferase 2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 our partner 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 use our state-of-the-art dedicated workflow for designing focused 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.

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

Reaxense

upacc

Q9NUD9

UPID:

PIGV_HUMAN

Alternative names:

GPI mannosyltransferase II; Phosphatidylinositol-glycan biosynthesis class V protein

Alternative UPACC:

Q9NUD9; D3DPL2; Q5JYG7; Q5JYG8; Q5JYG9; Q9NX26

Background:

GPI mannosyltransferase 2, also known as GPI mannosyltransferase II and Phosphatidylinositol-glycan biosynthesis class V protein, plays a crucial role in glycosylphosphatidylinositol-anchor biosynthesis. This enzyme is responsible for transferring the second mannose to the glycosylphosphatidylinositol during GPI precursor assembly, a key step in cell surface protein anchoring.

Therapeutic significance:

The protein is linked to Hyperphosphatasia with impaired intellectual development syndrome 1, a severe syndrome characterized by elevated serum alkaline phosphatase, intellectual disability, and more. Understanding the role of GPI mannosyltransferase 2 could open doors to potential therapeutic strategies for this syndrome.