Focused On-demand Library for 5-hydroxytryptamine receptor 6

Details

Focused On-demand Libraries - Receptor.AI 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.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by Reaxense.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

PARTNER
Receptor.AI
 
UPACC
P50406

UPID:
5HT6R_HUMAN

ALTERNATIVE NAMES:
Serotonin receptor 6

ALTERNATIVE UPACC:
P50406; Q13640; Q5TGZ1

BACKGROUND:
Serotonin receptor 6, a critical component of the serotonin system, mediates various physiological processes through its interaction with 5-hydroxytryptamine (serotonin). It is involved in the modulation of adenylate cyclase activity via G proteins and has a notable affinity for certain psychotropic medications. The receptor also plays a role in the migration of neurons during the development of the cortex and is a known activator of TOR signaling pathways, which are vital for cellular processes.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of the Serotonin receptor 6 unveils new avenues for developing innovative therapeutic approaches.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.