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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


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

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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
Receptor.AI
 
UPACC
Q9Y210

UPID:
TRPC6_HUMAN

ALTERNATIVE NAMES:
Transient receptor protein 6

ALTERNATIVE UPACC:
Q9Y210; Q52M59; Q9HCW3; Q9NQA8; Q9NQA9

BACKGROUND:
The Short transient receptor potential channel 6, known for its role in forming a receptor-activated, non-selective calcium permeant cation channel, is crucial for cellular signaling. Activated independently by diacylglycerol (DAG) and not by intracellular calcium store depletion, it signifies a unique pathway in cellular function, possibly through a phosphatidylinositol second messenger system.

THERAPEUTIC SIGNIFICANCE:
Given its critical role in Focal segmental glomerulosclerosis 2, a disease characterized by progressive renal failure, Short transient receptor potential channel 6 presents a promising target for drug discovery. Exploring its function further could lead to groundbreaking treatments for kidney diseases.

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