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

Focused On-demand Libraries - Reaxense 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.

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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We utilise our cutting-edge, exclusive workflow to develop focused 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.

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

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:

Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform, also known as PP2A subunit A isoform PR65-alpha, plays a pivotal role in various cellular processes. It acts as a scaffolding molecule, coordinating the assembly of the catalytic and regulatory subunits of protein phosphatase 2A. This protein is crucial for chromosome segregation, centromeric localization of SGO1 during mitosis, and the dephosphorylation of key proteins such as TAU/MAPT and AKT1, impacting microtubule stability and AKT-mTOR signaling pathway respectively.

Therapeutic significance:

The involvement of Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform in Intellectual developmental disorder, autosomal dominant 36, underscores its potential as a target for therapeutic intervention. Understanding the role of this protein could open doors to potential therapeutic strategies.