Focused On-demand Library for Phosphatidylinositol phosphatase PTPRQ

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.

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.

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

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 stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q9UMZ3

UPID:

PTPRQ_HUMAN

Alternative names:

Receptor-type tyrosine-protein phosphatase Q

Alternative UPACC:

Q9UMZ3

Background:

Phosphatidylinositol phosphatase PTPRQ, also known as Receptor-type tyrosine-protein phosphatase Q, plays a crucial role in auditory function. It regulates phosphatidylinositol 4,5-bisphosphate levels in hair bundles and dephosphorylates a wide range of phosphatidylinositol phosphates. Its activity is essential for adipogenesis in mesenchymal stem cells, influencing the phosphorylation state of AKT1.

Therapeutic significance:

PTPRQ is implicated in autosomal recessive deafness, 84A, and autosomal dominant deafness, 73, through its gene variants. Understanding the role of Phosphatidylinositol phosphatase PTPRQ could open doors to potential therapeutic strategies for these hearing loss conditions.