Focused On-demand Library for Ciliated left-right organizer metallopeptidase

Focused On-demand Libraries - Reaxense 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.

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.

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

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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

A0A1B0GTW7

UPID:

CIROP_HUMAN

Alternative names:

Leishmanolysin-like peptidase 2

Alternative UPACC:

A0A1B0GTW7; A0A2R8Y3T5

Background:

The Ciliated left-right organizer metallopeptidase, also known as Leishmanolysin-like peptidase 2, is a putative metalloproteinase pivotal in the left-right patterning process. This protein plays a crucial role in establishing the correct orientation of thoracoabdominal organs, ensuring their proper placement and function.

Therapeutic significance:

Linked to Heterotaxy, visceral, 12, autosomal, a disorder characterized by the disarray of organ placement due to disrupted left-right asymmetry, this protein's malfunction can lead to severe congenital defects and early mortality. Understanding its function could pave the way for innovative treatments for visceral heterotaxy and related congenital disorders.