Focused On-demand Libraries - Receptor.AI 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.


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


The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


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


 

Fig. 1. The screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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
Receptor.AI
 
UPACC
O43292

UPID:
GPAA1_HUMAN

ALTERNATIVE NAMES:
GAA1 protein homolog

ALTERNATIVE UPACC:
O43292; Q9NSS0; Q9UQ31

BACKGROUND:
Glycosylphosphatidylinositol anchor attachment 1 protein, alternatively known as GAA1 protein homolog, is integral to the process of GPI-anchoring of precursor proteins. Its function within the GPI transamidase complex underscores its importance in the transfer of GPI to proteins, a necessary step for their attachment to the cell surface. The protein's action is critical before or during the formation of the carbonyl intermediate, distinguishing its role in the anchoring process rather than in the synthesis of GPI.

THERAPEUTIC SIGNIFICANCE:
The involvement of the GAA1 protein homolog in Glycosylphosphatidylinositol biosynthesis defect 15 underscores its clinical significance. This genetic disorder, characterized by a spectrum of neurological deficits, highlights the therapeutic potential of targeting the GAA1 protein homolog. Exploring the function and mechanisms of Glycosylphosphatidylinositol anchor attachment 1 protein could lead to innovative treatments for this and potentially other disorders.

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