Focused On-demand Library for Guanylate cyclase soluble subunit beta-1

Focused On-demand Libraries - Reaxense Collaboration

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.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q02153

UPID:

GCYB1_HUMAN

Alternative names:

Guanylate cyclase soluble subunit beta-3; Soluble guanylate cyclase small subunit

Alternative UPACC:

Q02153; B7Z426; Q86WY5

Background:

The Guanylate cyclase soluble subunit beta-1, also known as Guanylate cyclase soluble subunit beta-3 and Soluble guanylate cyclase small subunit, plays a pivotal role in cellular signaling. It mediates responses to nitric oxide (NO) by catalyzing the biosynthesis of the signaling molecule cGMP, a critical process in various physiological pathways.

Therapeutic significance:

Understanding the role of Guanylate cyclase soluble subunit beta-1 could open doors to potential therapeutic strategies. Its central function in NO signaling pathways suggests its involvement in critical physiological processes, making it a target of interest in drug discovery.