AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha'

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.

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.

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

 Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

Our library distinguishes itself through several key aspects:

  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

P51160

UPID:

PDE6C_HUMAN

Alternative names:

cGMP phosphodiesterase 6C

Alternative UPACC:

P51160; A6NCR6; Q5VY29

Background:

Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha', also known as cGMP phosphodiesterase 6C, plays a pivotal role in the visual system. It is crucial for light detection and cone phototransduction by modulating intracellular levels of cGMP, a key messenger in visual signal transduction.

Therapeutic significance:

Linked to Cone dystrophy 4 and Achromatopsia 5, this protein's dysfunction underscores its importance in retinal diseases. Understanding its role could pave the way for innovative treatments targeting these visual impairments.

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