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.
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.
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.
Our high-tech, dedicated method is applied to construct targeted 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:
partner
Reaxense
upacc
Q9UMX6
UPID:
GUC1B_HUMAN
Alternative names:
Guanylate cyclase activator 1B
Alternative UPACC:
Q9UMX6; Q9NU15
Background:
Guanylyl cyclase-activating protein 2 (GCAP2), also known as Guanylate cyclase activator 1B, plays a pivotal role in visual phototransduction. It regulates retinal guanylyl cyclases GUCY2D and GUCY2F in response to changes in intracellular calcium levels, crucial for the recovery of rod and cone photoreceptors in the dark state after light exposure.
Therapeutic significance:
GCAP2's involvement in Retinitis pigmentosa 48, a progressive retinal dystrophy, underscores its therapeutic potential. Understanding the role of Guanylyl cyclase-activating protein 2 could open doors to potential therapeutic strategies for treating this debilitating visual impairment.