Focused On-demand Library for Retinal guanylyl cyclase 1

Focused On-demand Libraries - Reaxense Collaboration

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.

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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

Our top-notch dedicated system is used to design specialised 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.

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

Q02846

UPID:

GUC2D_HUMAN

Alternative names:

CG-E; Guanylate cyclase 2D, retinal; Rod outer segment membrane guanylate cyclase

Alternative UPACC:

Q02846; Q6LEA7

Background:

Retinal guanylyl cyclase 1, also known as Guanylate cyclase 2D, retinal, plays a pivotal role in the phototransduction pathway by catalyzing the synthesis of cyclic GMP (cGMP) in rods and cones of photoreceptors. This enzyme is crucial for replenishing cGMP, essential for normal vision, and may also assist in the trafficking of proteins to the photoreceptor outer segment membrane.

Therapeutic significance:

Given its central role in vision, mutations in Retinal guanylyl cyclase 1 are linked to several inherited retinal dystrophies, including Leber congenital amaurosis 1, Cone-rod dystrophy 6, and others. Understanding the function and regulation of this protein could lead to novel therapeutic strategies for these blinding diseases.