Focused On-demand Library for Free fatty acid receptor 4

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.

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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We employ our advanced, specialised process to create targeted libraries for receptors.

Fig. 1. The sreening workflow of Receptor.AI

It features thorough molecular simulations of the receptor within its native membrane environment, complemented by ensemble virtual screening that considers its conformational mobility. For dimeric or oligomeric receptors, the full functional complex is constructed, and tentative binding sites are determined on and between the subunits to cover the entire spectrum of potential mechanisms of action.

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

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:

Free fatty acid receptor 4, alternatively known as G-protein coupled receptor 120, plays a pivotal role in adipogenesis, energy metabolism, and inflammation. It functions as a G-protein-coupled receptor for long-chain fatty acids, signaling through both G-protein and beta-arrestin pathways to initiate a variety of cellular responses. This includes intracellular calcium mobilization, modulation of cAMP production, and activation of MAPKs. Its ability to sense dietary fats and regulate adipocyte proliferation, differentiation, and brown adipocyte activation underscores its importance in energy homeostasis.

Therapeutic significance:

Understanding the role of Free fatty acid receptor 4 could open doors to potential therapeutic strategies. Its involvement in energy metabolism, inflammation, and adipogenesis positions it as a promising target for treating metabolic disorders and obesity-related conditions.