Focused On-demand Library for Protein phosphatase 1B

Details

Focused On-demand Libraries - Receptor.AI 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.


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 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 screening 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 distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
O75688

UPID:
PPM1B_HUMAN

ALTERNATIVE NAMES:
Protein phosphatase 2C isoform beta

ALTERNATIVE UPACC:
O75688; Q461Q2; Q4J6C1; Q4J6C2; Q658R4; Q96ER6; Q9HAY8

BACKGROUND:
The enzyme Protein phosphatase 1B, known alternatively as Protein phosphatase 2C isoform beta, exhibits a broad range of substrate specificity. It is instrumental in the dephosphorylation of several key signaling molecules including CDK2, CDK6, PRKAA1, PRKAA2, and TBK1. This dephosphorylation activity is essential for the proper regulation of cell cycle, energy homeostasis, and immune responses, particularly in the context of TNF-alpha-mediated NF-kappa-B signaling.

THERAPEUTIC SIGNIFICANCE:
The exploration of Protein phosphatase 1B's function presents a promising avenue for the development of novel therapeutic interventions. By elucidating its role in essential cellular processes, researchers can identify new targets for drug discovery, potentially leading to breakthrough treatments for a variety of conditions.

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