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

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. Our partner 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.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

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.