Focused On-demand Library for Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform

Details

Focused On-demand Libraries - Receptor.AI 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. 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.


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.


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
Receptor.AI
 
UPACC
P30153

UPID:
2AAA_HUMAN

ALTERNATIVE NAMES:
Medium tumor antigen-associated 61 kDa protein; PP2A subunit A isoform PR65-alpha; PP2A subunit A isoform R1-alpha

ALTERNATIVE UPACC:
P30153; Q13773; Q6ICQ3; Q96DH3

BACKGROUND:
The PP2A subunit A isoform PR65-alpha, known for its association with the medium tumor antigen-associated 61 kDa protein, is integral to the regulation of several critical cellular mechanisms. It facilitates the dephosphorylation of microtubule associated protein TAU/MAPT and AKT1, playing a key role in maintaining cellular structure integrity and regulating the AKT-mTOR signaling pathway. Its function is essential for proper chromosome segregation and T-cell homeostasis.

THERAPEUTIC SIGNIFICANCE:
Given its critical role in Intellectual developmental disorder, autosomal dominant 36, the PP2A subunit A isoform PR65-alpha represents a promising target for drug discovery efforts. Exploring the functions and mechanisms of this protein could lead to innovative therapeutic approaches.

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