Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.
We use our state-of-the-art dedicated workflow for designing focused 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q8NFM4
UPID:
ADCY4_HUMAN
Alternative names:
ATP pyrophosphate-lyase 4; Adenylate cyclase type IV; Adenylyl cyclase 4
Alternative UPACC:
Q8NFM4; B3KV74; D3DS75; Q17R40; Q6ZTM6; Q96ML7
Background:
Adenylate cyclase type 4, also known as ATP pyrophosphate-lyase 4 or Adenylyl cyclase 4, plays a pivotal role in cellular signaling by catalyzing the formation of cAMP in response to G-protein signaling. This enzyme is crucial for the transduction of signals from outside the cell to its interior, impacting various physiological processes.
Therapeutic significance:
Understanding the role of Adenylate cyclase type 4 could open doors to potential therapeutic strategies. Its central role in signal transduction pathways suggests its potential as a target for drug discovery, aiming to modulate cAMP levels in various disease contexts.