Focused On-demand Library for Proline-serine-threonine phosphatase-interacting protein 1

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.

We utilise our cutting-edge, exclusive workflow to develop focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

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

O43586

UPID:

PPIP1_HUMAN

Alternative names:

CD2-binding protein 1; H-PIP

Alternative UPACC:

O43586; B5BU74; B5BUK4; O43585; O95657

Background:

Proline-serine-threonine phosphatase-interacting protein 1, also known as CD2-binding protein 1 or H-PIP, plays a crucial role in the regulation of the actin cytoskeleton. It facilitates interactions between various proteins such as ABL1, PTPN18, and WAS, promoting actin polymerization required for T-cell activation. Additionally, it is involved in innate immunity by participating in the formation of pyroptosomes, crucial for the inflammatory response.

Therapeutic significance:

The protein's involvement in PAPA syndrome, characterized by early-onset inflammation affecting skin and joints, highlights its therapeutic significance. Understanding the role of Proline-serine-threonine phosphatase-interacting protein 1 could open doors to potential therapeutic strategies for treating inflammatory diseases.