Focused On-demand Library for Serine/threonine-protein phosphatase PP1-gamma catalytic subunit

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, 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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening 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 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

P36873

UPID:

PP1G_HUMAN

Alternative names:

Protein phosphatase 1C catalytic subunit

Alternative UPACC:

P36873

Background:

The Serine/threonine-protein phosphatase PP1-gamma catalytic subunit, also known as Protein phosphatase 1C catalytic subunit, plays a pivotal role in various cellular processes. It forms specific holoenzymes with over 200 regulatory proteins, dephosphorylating numerous biological targets. This enzyme is crucial for cell division, glycogen metabolism, muscle contractility, and protein synthesis. It also contributes to the regulation of ionic conductances and synaptic plasticity, impacting chromatin structure and cell cycle progression.

Therapeutic significance:

Understanding the role of Serine/threonine-protein phosphatase PP1-gamma catalytic subunit could open doors to potential therapeutic strategies.