Focused On-demand Libraries - Receptor.AI 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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


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.


Our top-notch dedicated system is used to design specialised libraries for receptors.


 

Fig. 1. The screening workflow of Receptor.AI

The method involves detailed molecular simulations of the receptor in its native membrane environment, with ensemble virtual screening focusing on its conformational mobility. When dealing with dimeric or oligomeric receptors, the whole functional complex is modelled, and the tentative binding pockets on and between the subunits are established to address all possible mechanisms of action.


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
Receptor.AI
 
UPACC
Q5NUL3

UPID:
FFAR4_HUMAN

ALTERNATIVE NAMES:
G-protein coupled receptor 120; G-protein coupled receptor 129; G-protein coupled receptor GT01; G-protein coupled receptor PGR4; Omega-3 fatty acid receptor 1

ALTERNATIVE UPACC:
Q5NUL3; Q495H1; Q5VY25; Q5VY26; Q7Z605; Q86SM7

BACKGROUND:
The Omega-3 fatty acid receptor 1, also known as Free fatty acid receptor 4, is integral to the regulation of energy metabolism, adipocyte differentiation, and inflammation. By sensing long-chain fatty acids, it activates signaling pathways that lead to cellular responses essential for metabolic processes. This receptor's role extends to the regulation of blood glucose levels, appetite, and the inflammatory response, highlighting its significance in maintaining metabolic health.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Omega-3 fatty acid receptor 1 offers a pathway to innovative therapeutic approaches. Its central role in managing energy balance and metabolic health makes it a valuable target for developing treatments for diabetes, obesity, and inflammatory diseases.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.