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

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 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 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.

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

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

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.