Focused On-demand Library for Serine/threonine-protein phosphatase 2B catalytic subunit gamma isoform

Focused On-demand Libraries - Reaxense 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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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.

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

P48454

UPID:

PP2BC_HUMAN

Alternative names:

CAM-PRP catalytic subunit; Calcineurin, testis-specific catalytic subunit; Calmodulin-dependent calcineurin A subunit gamma isoform

Alternative UPACC:

P48454; B4DRT5; Q9BSS6; Q9H4M5

Background:

The Serine/threonine-protein phosphatase 2B catalytic subunit gamma isoform, also known as CAM-PRP catalytic subunit, Calcineurin, testis-specific catalytic subunit, and Calmodulin-dependent calcineurin A subunit gamma isoform, plays a pivotal role in intracellular signaling. This enzyme is crucial for the transduction of Ca(2+)-mediated signals, acting through calcium-dependent, calmodulin-stimulated dephosphorylation processes. It specifically dephosphorylates and activates the transcription factor NFATC1, inactivates ELK1, and dephosphorylates DARPP32, highlighting its versatile role in cellular function.

Therapeutic significance:

Understanding the role of Serine/threonine-protein phosphatase 2B catalytic subunit gamma isoform could open doors to potential therapeutic strategies.