Focused On-demand Library for Cannabinoid receptor 1

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.

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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

Fig. 1. The sreening workflow of Receptor.AI

This process includes extensive molecular simulations of the receptor in its native membrane environment, along with ensemble virtual screening that accounts for its conformational mobility. In the case of dimeric or oligomeric receptors, the entire functional complex is modelled, identifying potential binding pockets on and between the subunits to encompass 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

Reaxense

upacc

P21554

UPID:

CNR1_HUMAN

Alternative names:

CANN6

Alternative UPACC:

P21554; B2R9T4; E1P512; Q13949; Q495Z0; Q4PLI4; Q4VBM6; Q5JVL5; Q5UB37; Q9UNN0

Background:

Cannabinoid receptor 1 (CNR1), also known as CANN6, is a G-protein coupled receptor primarily activated by endocannabinoids. It plays a pivotal role in regulating food intake, memory, gastrointestinal motility, and energy metabolism. CNR1's interaction with cannabinoids affects cellular respiration, mitochondrial function, and neurotransmission, showcasing its complex involvement in metabolic and neurological processes.

Therapeutic significance:

CNR1's involvement in obesity highlights its potential as a therapeutic target. Its role in diet-induced obesity, dyslipidemia, and liver steatosis suggests that modulation of CNR1 activity could offer new avenues for treating metabolic disorders. Although CNR1 inverse agonists have shown promise in reducing body weight and metabolic abnormalities, their development has been challenged by adverse effects. Further research into CNR1 could unlock novel, safer therapeutic strategies.