Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 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

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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
Receptor.AI
 
UPACC
Q15257

UPID:
PTPA_HUMAN

ALTERNATIVE NAMES:
PP2A, subunit B', PR53 isoform; Phosphotyrosyl phosphatase activator; Serine/threonine-protein phosphatase 2A regulatory subunit 4; Serine/threonine-protein phosphatase 2A regulatory subunit B'

ALTERNATIVE UPACC:
Q15257; A2A347; A9IZU4; B4DXM4; Q15258; Q53GZ3; Q5TZQ2; Q9BUK1; Q9NNZ7; Q9NNZ8; Q9NNZ9

BACKGROUND:
Serine/threonine-protein phosphatase 2A regulatory subunit 4, also recognized as Phosphotyrosyl phosphatase activator, is pivotal in protein synthesis and apoptosis. It catalyzes the cis-trans isomerization of proline imidic peptide bonds, acting as a regulatory subunit for PP2A, thereby modulating its activity. Its involvement in reactivating PP2A-phosphatase methylesterase complexes and its variable phosphotyrosyl phosphatase activity underline its critical biological functions.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of Serine/threonine-protein phosphatase 2A regulatory subunit 4 unveils new avenues for developing therapeutic interventions.

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