AI-ACCELERATED DRUG DISCOVERY

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

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.

 Fig. 1. The sreening 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.

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.

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.

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