Focused On-demand Library for High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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 sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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

O95263

UPID:

PDE8B_HUMAN

Alternative names:

Cell proliferation-inducing gene 22 protein

Alternative UPACC:

O95263; Q5J7V7; Q86XK8; Q8IUJ7; Q8IUJ8; Q8IUJ9; Q8IUK0; Q8N3T2

Background:

The High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B, also known as Cell proliferation-inducing gene 22 protein, plays a pivotal role in hydrolyzing the second messenger cAMP. This process is crucial for regulating numerous physiological processes, including specific signaling pathways in the thyroid gland.

Therapeutic significance:

Linked to Striatal degeneration, autosomal dominant 1, and Primary pigmented nodular adrenocortical disease 3, this protein's dysfunction showcases its potential impact on movement disorders and Cushing syndrome. Understanding its role could pave the way for innovative therapeutic strategies targeting these conditions.