Focused On-demand Library for Phosphatidylinositol-glycan biosynthesis class W protein

Focused On-demand Libraries - Reaxense 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.

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.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening 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.

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

Q7Z7B1

UPID:

PIGW_HUMAN

Alternative names:

Alternative UPACC:

Q7Z7B1; Q8N9G3

Background:

The Phosphatidylinositol-glycan biosynthesis class W protein, encoded by the gene with accession number Q7Z7B1, plays a crucial role in the transport of GPI-anchored proteins to the plasma membrane. It functions as a probable acetyltransferase, modifying the inositol ring of phosphatidylinositol during GPI-anchor biosynthesis. This modification, although not essential for mannosylation, is typically removed after GPIs attach to proteins.

Therapeutic significance:

Linked to Glycosylphosphatidylinositol biosynthesis defect 11, a neurologic disorder marked by developmental delay and seizures, understanding the role of Phosphatidylinositol-glycan biosynthesis class W protein could open doors to potential therapeutic strategies.