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

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 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 screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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
Receptor.AI
 
UPACC
O00408

UPID:
PDE2A_HUMAN

ALTERNATIVE NAMES:
Cyclic GMP-stimulated phosphodiesterase

ALTERNATIVE UPACC:
O00408; B2R646; B3KRV5; E9PGI1; F6W5Z0; Q5J791; Q5J792; Q5J793; Q6ZMR1

BACKGROUND:
Cyclic GMP-stimulated phosphodiesterase, with its alternative name cGMP-dependent 3',5'-cyclic phosphodiesterase, is integral in modulating cAMP and cGMP levels, key regulators of cell physiology. This enzyme is more effective with cGMP and is involved in critical cellular functions such as growth, migration, and mitochondrial dynamics, including apoptosis through cAMP/PKA signaling.

THERAPEUTIC SIGNIFICANCE:
Given its involvement in Intellectual developmental disorder with paroxysmal dyskinesia or seizures, exploring the functions of this protein offers a promising avenue for developing therapeutic strategies that could ameliorate or potentially cure related disorders.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.