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

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

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.