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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
Our high-tech, dedicated method is applied to construct 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
O76074
UPID:
PDE5A_HUMAN
Alternative names:
cGMP-binding cGMP-specific phosphodiesterase
Alternative UPACC:
O76074; A0AV69; A8K2C4; O75026; O75887; Q86UI0; Q86V66; Q9Y6Z6
Background:
The cGMP-specific 3',5'-cyclic phosphodiesterase plays a pivotal role in signal transduction by regulating cyclic nucleotides' intracellular concentrations. It specifically hydrolyzes cGMP to 5'-GMP, crucial for modulating cellular responses to nitric oxide.
Therapeutic significance:
Understanding the role of cGMP-specific 3',5'-cyclic phosphodiesterase could open doors to potential therapeutic strategies, particularly in diseases where nitric oxide signaling is implicated.