Focused On-demand Library for Adhesion G-protein coupled receptor G2

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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop focused 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

Q8IZP9

UPID:

AGRG2_HUMAN

Alternative names:

G-protein coupled receptor 64; Human epididymis-specific protein 6

Alternative UPACC:

Q8IZP9; B1AWB3; B1AWB4; B1AWB6; B1AWB7; O00406; Q14CE0; Q8IWT2; Q8IZE4; Q8IZE5; Q8IZE6; Q8IZE7; Q8IZP3; Q8IZP4

Background:

Adhesion G-protein coupled receptor G2, also known as G-protein coupled receptor 64 and Human epididymis-specific protein 6, plays a pivotal role in male reproductive health. It is implicated in the regulation of fluid exchange within the epididymis, a key process for sperm maturation and male fertility. This receptor's involvement in signal transduction pathways underscores its importance in epididymal function.

Therapeutic significance:

The protein is directly associated with Congenital bilateral aplasia of the vas deferens, X-linked, a condition marked by infertility due to the bilateral absence of vas deferens. Understanding the role of Adhesion G-protein coupled receptor G2 could open doors to potential therapeutic strategies for treating infertility issues related to this condition.