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.
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 includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
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.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q08493
UPID:
PDE4C_HUMAN
Alternative names:
DPDE1; PDE21
Alternative UPACC:
Q08493; B3KTC4; Q9UN44; Q9UN45; Q9UN46; Q9UPJ6
Background:
The cAMP-specific 3',5'-cyclic phosphodiesterase 4C, known by its alternative names DPDE1 and PDE21, plays a crucial role in cellular processes by hydrolyzing cAMP. This enzyme is a key regulator, ensuring that cAMP levels are maintained within optimal ranges to support various physiological functions.
Therapeutic significance:
Understanding the role of cAMP-specific 3',5'-cyclic phosphodiesterase 4C could open doors to potential therapeutic strategies. Its pivotal function in regulating cAMP levels makes it a target of interest in drug discovery, aiming to modulate cellular processes for therapeutic benefits.