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.
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 comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q07343
UPID:
PDE4B_HUMAN
Alternative names:
DPDE4; PDE32
Alternative UPACC:
Q07343; A5YW33; O15443; Q13945; Q5TEK4; Q5TEK5; Q5TEK6
Background:
The cAMP-specific 3',5'-cyclic phosphodiesterase 4B, known by its alternative names DPDE4 and PDE32, plays a crucial role in hydrolyzing the second messenger cAMP. This process is vital for regulating a wide array of physiological processes, as highlighted in research findings (PubMed:15260978). The enzyme's activity influences the central nervous system, impacting the efficacy of various therapeutic agents, from antidepressants to anti-inflammatory drugs.
Therapeutic significance:
Understanding the role of cAMP-specific 3',5'-cyclic phosphodiesterase 4B could open doors to potential therapeutic strategies. Its pivotal function in modulating cAMP levels makes it a promising target for drug discovery, aiming to harness its mechanism for treating diseases with underlying dysregulation of cAMP signaling pathways.