Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.


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


 

Fig. 1. The screening 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.


Our library stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.


PARTNER
Receptor.AI
 
UPACC
Q13507

UPID:
TRPC3_HUMAN

ALTERNATIVE NAMES:
Transient receptor protein 3

ALTERNATIVE UPACC:
Q13507; A7VJS1; E9PCJ9; O00593; Q15660; Q52M35; Q5G1L5

BACKGROUND:
The protein Short transient receptor potential channel 3, alternatively named Transient receptor protein 3, is integral to forming a receptor-activated, non-selective, calcium permeant cation channel. It is essential for the regulation of calcium influx in response to external stimuli, mediated by a phosphatidylinositol second messenger system.

THERAPEUTIC SIGNIFICANCE:
Given its critical role in Spinocerebellar ataxia 41, a disease marked by cerebellar degeneration and coordination loss, TRPC3 presents a promising target for therapeutic intervention. Exploring TRPC3's function further could unveil novel approaches to manage or potentially treat this and related neurological disorders.

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