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

Focused On-demand Libraries - Reaxense Collaboration

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

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.

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

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

Q02108

UPID:

GCYA1_HUMAN

Alternative names:

Guanylate cyclase soluble subunit alpha-3; Soluble guanylate cyclase large subunit

Alternative UPACC:

Q02108; D3DP19; D6RDW3; O43843; Q8TAH3

Background:

Guanylate cyclase soluble subunit alpha-1, also known as Guanylate cyclase soluble subunit alpha-3 and Soluble guanylate cyclase large subunit, plays a pivotal role in cellular signaling by catalyzing the synthesis of cyclic guanosine monophosphate (cGMP) from GTP. This enzyme is crucial for various physiological processes, including vasodilation, platelet aggregation, and neurotransmission.

Therapeutic significance:

The protein's involvement in Moyamoya disease 6, characterized by cerebral angiopathy and potential achalasia, highlights its significance in vascular health. Understanding the role of Guanylate cyclase soluble subunit alpha-1 could open doors to potential therapeutic strategies for treating or managing Moyamoya disease and related vascular disorders.