Focused On-demand Library for Adenylate cyclase type 5

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We utilise our cutting-edge, exclusive workflow to develop 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.

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

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.