Focused On-demand Library for Adhesion G protein-coupled receptor E2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

Our top-notch dedicated system is used to design specialised 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 is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q9UHX3

UPID:

AGRE2_HUMAN

Alternative names:

EGF-like module receptor 2; EGF-like module-containing mucin-like hormone receptor-like 2

Alternative UPACC:

Q9UHX3; B4DQ96; E7ESD7; E9PBR1; E9PEL6; E9PFQ5; E9PG91; Q8NG96; Q9Y4B1

Background:

Adhesion G protein-coupled receptor E2, also known as EGF-like module receptor 2, plays a pivotal role in cell attachment by binding to the chondroitin sulfate of glycosaminoglycan chains. It is instrumental in granulocyte chemotaxis, degranulation, and adhesion, and in macrophages, it triggers the release of inflammatory cytokines, including IL8 and TNF. This receptor is a key regulator of mast cell degranulation.

Therapeutic significance:

Linked to Vibratory urticaria, a disorder characterized by hives and systemic manifestations in response to dermal vibration, Adhesion G protein-coupled receptor E2's involvement suggests potential therapeutic targets. Understanding its role could lead to novel treatments for this and related inflammatory conditions.