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

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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

Q13370

UPID:

PDE3B_HUMAN

Alternative names:

CGIPDE1; Cyclic GMP-inhibited phosphodiesterase B

Alternative UPACC:

Q13370; B7ZM37; O00639; Q14408; Q6SEI4

Background:

The cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B, also known as CGIPDE1, plays a pivotal role in cellular signaling by regulating the levels of cAMP and cGMP, second messengers crucial for a wide range of physiological processes. This enzyme's ability to modulate the balance between these messengers influences key functions such as angiogenesis and cardiac contractility, showcasing its integral role in maintaining cellular homeostasis.

Therapeutic significance:

Understanding the role of cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B could open doors to potential therapeutic strategies. Its involvement in regulating critical signaling pathways offers a promising avenue for the development of targeted treatments aimed at modulating its activity to address various cardiovascular and angiogenic disorders.