AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Adhesion G-protein coupled receptor G1

Available from Reaxense
Predicted by Alphafold

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.

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.

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

 Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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

Q9Y653

UPID:

AGRG1_HUMAN

Alternative names:

G-protein coupled receptor 56; Protein TM7XN1

Alternative UPACC:

Q9Y653; A6NIT7; A6NJV9; B0M0K4; B4DR54; O95966; Q6ZMP1; Q8NGB3; Q96HB4

Background:

Adhesion G-protein coupled receptor G1, also known as G-protein coupled receptor 56 or Protein TM7XN1, plays a pivotal role in cell adhesion, cell-cell interactions, and cortical development. It mediates cell matrix adhesion in developing neurons and hematopoietic stem cells, acting as a receptor for collagen III/COL3A1 in the brain. This protein is crucial in maintaining the pial basement membrane integrity and cortical lamination, influencing neuronal migration and activating the RhoA pathway.

Therapeutic significance:

Adhesion G-protein coupled receptor G1 is implicated in several diseases, including bilateral frontoparietal polymicrogyria and bilateral perisylvian polymicrogyria, autosomal recessive. These conditions are characterized by malformations of the cortex, leading to developmental delays, seizures, and intellectual difficulties. Understanding the role of Adhesion G-protein coupled receptor G1 could open doors to potential therapeutic strategies for these neurological disorders.

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