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

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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 employ our advanced, specialised process to create targeted libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

Our library stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.







Alternative names:


Alternative UPACC:

P27815; O75522; O76092; Q16255; Q16691; Q5DM53; Q6PMT2; Q8IVA7; Q8WUQ3; Q9H3H2


The cAMP-specific 3',5'-cyclic phosphodiesterase 4A, known by its alternative names DPDE2 and PDE46, plays a crucial role in cellular processes by hydrolyzing the second messenger 3',5'-cyclic AMP (cAMP). This enzyme's activity is pivotal in regulating various physiological functions, as it efficiently breaks down cAMP without being influenced by calcium, calmodulin, or cyclic GMP (cGMP) levels.

Therapeutic significance:

Understanding the role of cAMP-specific 3',5'-cyclic phosphodiesterase 4A could open doors to potential therapeutic strategies. Its central function in modulating cAMP levels makes it a compelling target for drug discovery, aiming to manipulate cellular signaling pathways for therapeutic benefits.

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