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.

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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

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

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.