Focused On-demand Library for Cannabinoid receptor 2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

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

Fig. 1. The sreening workflow of Receptor.AI

This includes comprehensive molecular simulations of the receptor in its native membrane environment, paired with ensemble virtual screening that factors in its conformational mobility. In cases involving dimeric or oligomeric receptors, the entire functional complex is modelled, pinpointing potential binding pockets on and between the subunits to capture the full range of mechanisms of action.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

P34972

UPID:

CNR2_HUMAN

Alternative names:

CX5

Alternative UPACC:

P34972; C6ES44; Q4VBK8; Q5JRH7; Q6B0G7; Q6NSY0

Background:

Cannabinoid receptor 2 (CX5) is a key player in the endocannabinoid system, acting as a heterotrimeric G protein-coupled receptor for 2-arachidonoylglycerol. It plays a crucial role in inhibiting adenylate cyclase, which is pivotal in various physiological processes including inflammatory response, nociceptive transmission, and bone homeostasis.

Therapeutic significance:

Understanding the role of Cannabinoid receptor 2 could open doors to potential therapeutic strategies, particularly in the realms of pain management, inflammation, and bone diseases. Its involvement in critical physiological pathways underscores its potential as a target for innovative drug discovery efforts.