AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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.

Our high-tech, dedicated method is applied to construct 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 is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q13946

UPID:

PDE7A_HUMAN

Alternative names:

HCP1; TM22

Alternative UPACC:

Q13946; A0AVH6; A8K436; A8K9G5; O15380; Q96T72

Background:

High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (PDE7A), also known by its alternative names HCP1 and TM22, plays a crucial role in cellular processes by hydrolyzing cAMP, a pivotal second messenger in numerous physiological pathways. Its activity is linked to the regulation of muscle signal transduction, highlighting its importance in muscle physiology.

Therapeutic significance:

Understanding the role of High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A could open doors to potential therapeutic strategies. Its central function in modulating cAMP levels suggests its potential as a target in diseases where cAMP signaling is dysregulated.

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