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.
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.
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 top-notch dedicated system is used to design specialised 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
O00408
UPID:
PDE2A_HUMAN
Alternative names:
Cyclic GMP-stimulated phosphodiesterase
Alternative UPACC:
O00408; B2R646; B3KRV5; E9PGI1; F6W5Z0; Q5J791; Q5J792; Q5J793; Q6ZMR1
Background:
The cGMP-dependent 3',5'-cyclic phosphodiesterase, also known as Cyclic GMP-stimulated phosphodiesterase, plays a pivotal role in cellular processes by regulating the levels of cAMP and cGMP, second messengers crucial for physiological functions. It exhibits a higher efficiency with cGMP over cAMP, influencing cell growth, migration, and mitochondrial functions, including respiration and morphology.
Therapeutic significance:
Linked to Intellectual developmental disorder with paroxysmal dyskinesia or seizures, this protein's understanding could pave the way for innovative treatments targeting its unique enzymatic activity and its role in neuronal signaling pathways.