Focused On-demand Library for Protein phosphatase 1B

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.

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.

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

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 stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

O75688

UPID:

PPM1B_HUMAN

Alternative names:

Protein phosphatase 2C isoform beta

Alternative UPACC:

O75688; Q461Q2; Q4J6C1; Q4J6C2; Q658R4; Q96ER6; Q9HAY8

Background:

Protein phosphatase 1B, also known as Protein phosphatase 2C isoform beta, is an enzyme with broad specificity. It plays a crucial role in cellular processes by dephosphorylating key proteins such as CDK2, CDK6, PRKAA1, PRKAA2, and IKBKB/IKKB. Its activity is pivotal in regulating cell cycle progression, energy metabolism, and inflammatory responses by terminating TNF-alpha-mediated NF-kappa-B activation.

Therapeutic significance:

Understanding the role of Protein phosphatase 1B could open doors to potential therapeutic strategies. Its involvement in critical signaling pathways offers a unique opportunity to modulate various diseases by targeting its enzymatic activity.