AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for 5-hydroxytryptamine receptor 6

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

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

 Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

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

P50406

UPID:

5HT6R_HUMAN

Alternative names:

Serotonin receptor 6

Alternative UPACC:

P50406; Q13640; Q5TGZ1

Background:

The 5-hydroxytryptamine receptor 6, also known as the Serotonin receptor 6, plays a pivotal role in neurotransmission and neuromodulation. This receptor, encoded by the gene P50406, is a target for serotonin, a key neurotransmitter in regulating mood, anxiety, and brain function. It operates through G proteins that stimulate adenylate cyclase, showing high affinity for tricyclic psychotropic drugs. Additionally, it influences the migration of pyramidal neurons during brain development and activates TOR signaling, crucial for cell growth and metabolism.

Therapeutic significance:

Understanding the role of 5-hydroxytryptamine receptor 6 could open doors to potential therapeutic strategies.

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