Focused On-demand Library for Adhesion G-protein coupled receptor G6

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.

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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q86SQ4

UPID:

AGRG6_HUMAN

Alternative names:

Developmentally regulated G-protein-coupled receptor; G-protein coupled receptor 126; Vascular inducible G protein-coupled receptor

Alternative UPACC:

Q86SQ4; Q5TGN7; Q6DHZ4; Q6F3F5; Q6F3F6; Q6F3F7; Q6F3F8; Q6MZU7; Q8IXA4; Q8NC14; Q96JW0

Background:

Adhesion G-protein coupled receptor G6, also known as G-protein coupled receptor 126, plays a pivotal role in the human body. It is activated by type IV collagen, a key component of the basement membrane, and is essential for the differentiation of promyelinating Schwann cells and myelination of axons. This receptor is involved in neural, cardiac, and ear development, indicating its multifaceted biological significance.

Therapeutic significance:

The receptor's association with Lethal congenital contracture syndrome 9, a disorder characterized by muscle atrophy and joint contractures, underscores its therapeutic potential. Understanding the role of Adhesion G-protein coupled receptor G6 could open doors to potential therapeutic strategies for this and related neuromuscular diseases.