Focused On-demand Library for Glycosylphosphatidylinositol anchor attachment 1 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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening 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.

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

O43292

UPID:

GPAA1_HUMAN

Alternative names:

GAA1 protein homolog

Alternative UPACC:

O43292; Q9NSS0; Q9UQ31

Background:

The Glycosylphosphatidylinositol anchor attachment 1 protein (GAA1 protein homolog), encoded by the gene with accession number O43292, plays a pivotal role in the post-translational modification of proteins. It is a crucial component of the GPI transamidase complex, essential for the transfer of GPI to proteins, a process necessary for their anchoring to the cell membrane. This protein acts at a critical juncture before or during the formation of the carbonyl intermediate, highlighting its indispensable role in GPI-anchoring but not in GPI synthesis itself.

Therapeutic significance:

GAA1 protein homolog is directly implicated in Glycosylphosphatidylinositol biosynthesis defect 15, a disorder marked by severe neurological manifestations including delayed psychomotor development, intellectual disability, and early-onset seizures. Understanding the role of Glycosylphosphatidylinositol anchor attachment 1 protein could open doors to potential therapeutic strategies aimed at alleviating or managing the symptoms associated with this autosomal recessive disorder.