Focused On-demand Library for 5-hydroxytryptamine receptor 2C

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.


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 for receptors.


 

Fig. 1. The screening 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
Receptor.AI
 
UPACC
P28335

UPID:
5HT2C_HUMAN

ALTERNATIVE NAMES:
5-hydroxytryptamine receptor 1C; Serotonin receptor 2C

ALTERNATIVE UPACC:
P28335; B1AMW4; Q5VUF8; Q9NP28

BACKGROUND:
Serotonin receptor 2C, alternatively named 5-hydroxytryptamine receptor 1C, is integral to the serotonin signaling pathway, affecting mood, appetite, and cognition. It interacts with a variety of ligands, including ergot alkaloid derivatives and psychoactive substances, triggering signaling through G proteins and beta-arrestins. This receptor's activation influences phosphatidylinositol-calcium signaling and calcium ion release, playing a crucial role in brain function and stress regulation.

THERAPEUTIC SIGNIFICANCE:
Exploring the 5-hydroxytryptamine receptor 2C's function offers a promising avenue for developing treatments for neuropsychiatric conditions and eating disorders. Its central role in serotonin signaling and stress response modulation makes it a compelling target for therapeutic intervention.

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