Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P54750
UPID:
PDE1A_HUMAN
Alternative names:
61 kDa Cam-PDE; hCam-1
Alternative UPACC:
P54750; D3DPG5; Q86VZ0; Q9C0K8; Q9C0K9; Q9C0L0; Q9C0L1; Q9C0L2; Q9C0L3; Q9C0L4; Q9UFX3
Background:
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A, also known as 61 kDa Cam-PDE or hCam-1, plays a pivotal role in cellular processes by regulating the levels of cGMP and cAMP. These second messengers are crucial for a wide range of physiological functions, with the enzyme showing a higher efficiency for cGMP over cAMP.
Therapeutic significance:
Understanding the role of Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A could open doors to potential therapeutic strategies.