Focused On-demand Library for Adhesion G protein-coupled receptor L1

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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 employ our advanced, specialised process to create targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of 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

O94910

UPID:

AGRL1_HUMAN

Alternative names:

Calcium-independent alpha-latrotoxin receptor 1; Latrophilin-1; Lectomedin-2

Alternative UPACC:

O94910; Q96IE7; Q9BU07; Q9HAR3

Background:

Adhesion G protein-coupled receptor L1, also known as Calcium-independent alpha-latrotoxin receptor 1, Latrophilin-1, and Lectomedin-2, plays a pivotal role in neurobiology. It serves as a high-affinity receptor for alpha-latrotoxin, a potent neurotoxin from black widow spider venom, triggering extensive exocytosis in neurons and neuroendocrine cells. Additionally, it acts as a receptor for TENM2, facilitating synaptic cell-cell contact and postsynaptic specialization, crucial for the regulation of exocytosis.

Therapeutic significance:

The protein's involvement in developmental delay, behavioral abnormalities, and neuropsychiatric disorders highlights its potential as a therapeutic target. Understanding the role of Adhesion G protein-coupled receptor L1 could open doors to novel strategies for treating these complex conditions.