Focused On-demand Library for Adenylate cyclase type 1

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.

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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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

Q08828

UPID:

ADCY1_HUMAN

Alternative names:

ATP pyrophosphate-lyase 1; Adenylate cyclase type I; Adenylyl cyclase 1; Ca(2+)/calmodulin-activated adenylyl cyclase

Alternative UPACC:

Q08828; A4D2L8; Q75MI1

Background:

Adenylate cyclase type 1, also known as ATP pyrophosphate-lyase 1, plays a pivotal role in cellular signaling by catalyzing the formation of cAMP in response to G-protein signaling. This enzyme is crucial for processes in the central nervous system, including memory and learning, and regulates the circadian rhythm of daytime contrast sensitivity in the retina.

Therapeutic significance:

Linked to Deafness, autosomal recessive, 44, Adenylate cyclase type 1's dysfunction underscores its potential as a target for therapeutic intervention. Understanding its role could pave the way for innovative treatments for hearing loss and other neurological conditions.