Focused On-demand Library for Pappalysin-2

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

Our high-tech, dedicated method is applied to construct targeted 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.

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

Q9BXP8

UPID:

PAPP2_HUMAN

Alternative names:

Pregnancy-associated plasma protein A2; Pregnancy-associated plasma protein E1

Alternative UPACC:

Q9BXP8; A9Z1Y8; Q96PH7; Q96PH8; Q9H4C9

Background:

Pappalysin-2, also known as Pregnancy-associated plasma protein A2 (PAPP-A2), plays a crucial role in the regulation of insulin-like growth factor (IGF) by specifically cleaving insulin-like growth factor binding protein (IGFBP)-5. This action modulates the availability of IGF, a key factor in cellular growth and development.

Therapeutic significance:

The protein's involvement in Short stature, Dauber-Argente type, a disorder characterized by growth failure and altered serum levels of IGF components, highlights its potential as a target for therapeutic intervention. Understanding the role of Pappalysin-2 could open doors to potential therapeutic strategies.