Focused On-demand Library for Guanine nucleotide-binding protein G(i) subunit alpha-3

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.


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


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

PARTNER
Receptor.AI
 
UPACC
P08754

UPID:
GNAI3_HUMAN

ALTERNATIVE NAMES:
G(i) alpha-3

ALTERNATIVE UPACC:
P08754; P17539; Q5TZX1

BACKGROUND:
The G(i) alpha-3 protein functions as a crucial intermediary in the GPCR signaling pathway, impacting cellular processes by switching between GTP and GDP bound states. It plays a key role in downregulating intracellular cAMP levels and activating K(+) channels, besides its participation in cell division through the regulation of RGS14's cellular localization.

THERAPEUTIC SIGNIFICANCE:
Given its critical role in the pathogenesis of Auriculocondylar syndrome 1, characterized by distinct craniofacial anomalies, G(i) alpha-3 presents a promising target for therapeutic intervention. Exploring the functions of G(i) alpha-3 could lead to innovative treatments for this and potentially other genetic disorders.

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