Focused On-demand Library for cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

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 employ our advanced, specialised process to create targeted 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:

  • 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:

Cyclic GMP-inhibited phosphodiesterase A; cGMP-inhibited cAMP phosphodiesterase

Alternative UPACC:

Q14432; O60865; Q13348; Q17RD1


cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A, also known as Cyclic GMP-inhibited phosphodiesterase A, plays a pivotal role in cellular signaling by regulating the levels of cAMP and cGMP, crucial second messengers in various physiological processes. Its unique ability to also target cUMP underscores its versatility in cellular functions. Beyond its enzymatic activity, it engages in an E2/17beta-estradiol-induced pro-apoptotic pathway, particularly relevant in high E2 concentration tissues like the placenta.

Therapeutic significance:

The protein's involvement in Hypertension and brachydactyly syndrome, characterized by severe hypertension and early-onset stroke, highlights its potential as a therapeutic target. Understanding the role of cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A could open doors to novel strategies for managing this syndrome and possibly other related cardiovascular disorders.

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