AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Adenylate cyclase type 5

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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 employ our advanced, specialised process to create targeted libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

Reaxense

upacc

O95622

UPID:

ADCY5_HUMAN

Alternative names:

ATP pyrophosphate-lyase 5; Adenylate cyclase type V; Adenylyl cyclase 5

Alternative UPACC:

O95622; B7Z8A6; Q7RTV7; Q8NFM3

Background:

Adenylate cyclase type 5, also known as ATP pyrophosphate-lyase 5 or Adenylyl cyclase 5, plays a pivotal role in cellular signaling by catalyzing the formation of cAMP in response to G-protein signaling. This enzyme is integral in mediating signaling downstream of ADRB1, regulating cytosolic Ca(2+) levels, and contributing to Ca(2+)-dependent insulin secretion.

Therapeutic significance:

The protein is linked to two autosomal recessive disorders: Dyskinesia with orofacial involvement and Neurodevelopmental disorder with hyperkinetic movements and dyskinesia. These conditions underscore the protein's critical role in neurological development and function, presenting avenues for therapeutic intervention.

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