Focused On-demand Library for cAMP-specific 3',5'-cyclic phosphodiesterase 4B

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 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 employ our advanced, specialised process to create targeted libraries for enzymes.


 

Fig. 1. The screening 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
Receptor.AI
 
UPACC
Q07343

UPID:
PDE4B_HUMAN

ALTERNATIVE NAMES:
DPDE4; PDE32

ALTERNATIVE UPACC:
Q07343; A5YW33; O15443; Q13945; Q5TEK4; Q5TEK5; Q5TEK6

BACKGROUND:
cAMP-specific 3',5'-cyclic phosphodiesterase 4B, also referred to as DPDE4 or PDE32, is integral in the hydrolysis of cAMP, a key regulator of numerous vital physiological functions. This enzyme's activity is essential for the proper functioning of the central nervous system and is influenced by a range of therapeutic agents, including antidepressants and antiasthmatic medications, as evidenced by scientific research (PubMed:15260978).

THERAPEUTIC SIGNIFICANCE:
Exploring the function of cAMP-specific 3',5'-cyclic phosphodiesterase 4B holds the promise of unveiling new therapeutic avenues. Given its central role in cAMP metabolism, targeting this enzyme could lead to innovative treatments for conditions characterized by altered cAMP signaling, thereby expanding the horizons of modern medicine.

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