Focused On-demand Library for Adhesion G-protein coupled receptor G5

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

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

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse 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

Q8IZF4

UPID:

AGRG5_HUMAN

Alternative names:

G-protein coupled receptor 114; G-protein coupled receptor PGR27

Alternative UPACC:

Q8IZF4; A0A024R6S3; A8K9R8; B3KXZ5; Q6ZMH7; Q6ZML4; Q86SL8; Q8IZ14

Background:

Adhesion G-protein coupled receptor G5, known as G-protein coupled receptor 114 or PGR27, plays a pivotal role in cell signaling. It operates through the G(s) alpha subunit, activating the adenylate cyclase pathway. Notably, isoform 1 exhibits constitutive activity, highlighted by elevated basal cAMP levels, and is responsive to mechanical stimuli.

Therapeutic significance:

Understanding the role of Adhesion G-protein coupled receptor G5 could open doors to potential therapeutic strategies.