AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Protein phosphatase 1H

Available from Reaxense
Predicted by Alphafold

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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.

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

Key features that set our library apart include:

  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q9ULR3

UPID:

PPM1H_HUMAN

Alternative names:

-

Alternative UPACC:

Q9ULR3; B1Q2A9; B2RXG4; Q6PI86

Background:

Protein phosphatase 1H, identified by the accession number Q9ULR3, plays a crucial role in cellular processes through its specific action of dephosphorylating CDKN1B at 'Thr-187'. This enzymatic activity is pivotal in regulating the cell cycle, as it directly influences the stability of CDKN1B by removing signals that lead to its proteasomal degradation.

Therapeutic significance:

Understanding the role of Protein phosphatase 1H could open doors to potential therapeutic strategies. Its unique function in cell cycle regulation positions it as a key target for drug discovery efforts aimed at controlling proliferative diseases.

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