Focused On-demand Library for cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A

Focused On-demand Libraries - Reaxense 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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

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 top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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

Q9Y233

UPID:

PDE10_HUMAN

Alternative names:

Alternative UPACC:

Q9Y233; Q6FHX1; Q9HCP9; Q9NTV4; Q9ULW9; Q9Y5T1

Background:

The cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A plays a pivotal role in signal transduction by regulating cyclic nucleotide levels. It preferentially hydrolyzes cAMP over cGMP, influencing intracellular concentrations. This enzyme's activity is crucial in the striatum, a brain region integral to movement and cognitive functions.

Therapeutic significance:

Linked to diseases such as Dyskinesia, limb and orofacial, infantile-onset, and Striatal degeneration, autosomal dominant 2, this protein's modulation offers a promising avenue for therapeutic intervention. Understanding its role could unveil novel strategies for treating movement disorders.