Focused On-demand Library for Cyclic GMP-AMP synthase

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by Reaxense.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.


 

Fig. 1. The screening 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.


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
Receptor.AI
 
UPACC
Q8N884

UPID:
CGAS_HUMAN

ALTERNATIVE NAMES:
2'3'-cGAMP synthase; Mab-21 domain-containing protein 1

ALTERNATIVE UPACC:
Q8N884; L0L2J9; Q14CV6; Q32NC9; Q5SWL0; Q5SWL1; Q96E45

BACKGROUND:
Cyclic GMP-AMP synthase, recognized alternatively as 2'3'-cGAMP synthase, is integral to the innate immune system. It synthesizes 2',3'-cGAMP upon detecting double-stranded DNA, activating STING1 and initiating type-I interferon production. This process is crucial for the body's defense against DNA viruses, retroviruses like HIV-2, and bacterial DNA, highlighting CGAS's versatility as a DNA sensor. Its unique mechanism of sensing and responding to foreign DNA makes it a key player in immune surveillance.

THERAPEUTIC SIGNIFICANCE:
The exploration of Cyclic GMP-AMP synthase's function offers promising avenues for therapeutic intervention. Given its pivotal role in detecting and responding to pathogenic DNA, targeting CGAS could lead to innovative treatments for viral and bacterial infections, enhancing our ability to modulate immune responses effectively.

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