Focused On-demand Library for Adenylate cyclase type 3

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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

O60266

UPID:

ADCY3_HUMAN

Alternative names:

ATP pyrophosphate-lyase 3; Adenylate cyclase type III; Adenylate cyclase, olfactive type; Adenylyl cyclase 3

Alternative UPACC:

O60266; B3KT86; Q53T54; Q9UDB1

Background:

Adenylate cyclase type 3, also known as ATP pyrophosphate-lyase 3, plays a pivotal role in cAMP signaling pathways, crucial for processes such as odorant perception and sperm motility. This enzyme's activity is essential for converting ATP to the signaling molecule cAMP in response to G-protein signals, highlighting its significance in sensory and reproductive systems.

Therapeutic significance:

Given its involvement in obesity, understanding the role of Adenylate cyclase type 3 could open doors to potential therapeutic strategies. Its function in regulating insulin levels and body fat accumulation, especially under high fat diet conditions, underscores its potential as a target in obesity management and treatment.