Focused On-demand Library for Gamma-secretase subunit PEN-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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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

Q9NZ42

UPID:

PEN2_HUMAN

Alternative names:

Presenilin enhancer protein 2

Alternative UPACC:

Q9NZ42; B2R5L9

Background:

Gamma-secretase subunit PEN-2, also known as Presenilin enhancer protein 2, is a crucial component of the gamma-secretase complex. This complex is responsible for the intramembrane cleavage of key proteins such as Notch receptors and APP, influencing Notch and Wnt signaling pathways and the regulation of CTNNB1 levels.

Therapeutic significance:

PEN-2's involvement in the pathogenesis of Acne inversa, familial, 2, with or without Dowling-Degos disease, underscores its potential as a target for therapeutic intervention. Understanding the role of Gamma-secretase subunit PEN-2 could open doors to potential therapeutic strategies.