AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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.

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.

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 utilise our cutting-edge, exclusive workflow to develop 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.

Several key aspects differentiate our library:

  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q9HCR9

UPID:

PDE11_HUMAN

Alternative names:

cAMP and cGMP phosphodiesterase 11A

Alternative UPACC:

Q9HCR9; Q14CD1; Q53T16; Q96S76; Q9GZY7; Q9HB46; Q9NY45

Background:

Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A, alternatively known as cAMP and cGMP phosphodiesterase 11A, plays a pivotal role in signal transduction. It regulates the intracellular concentrations of cyclic nucleotides cAMP and cGMP, crucial for various cellular processes. By catalyzing the hydrolysis of cAMP and cGMP to 5'-AMP and 5'-GMP, it modulates cellular responses to hormonal stimuli.

Therapeutic significance:

Primary pigmented nodular adrenocortical disease 2, a rare condition causing Cushing syndrome, is linked to mutations affecting this protein. Understanding the role of Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A could open doors to potential therapeutic strategies for managing this disease, highlighting its significance in medical research.

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