Focused On-demand Library for Stimulator of interferon genes protein

Focused On-demand Libraries - Reaxense 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.

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.

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.

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

Fig. 1. The sreening workflow of Receptor.AI

The method involves detailed molecular simulations of the receptor in its native membrane environment, with ensemble virtual screening focusing on its conformational mobility. When dealing with dimeric or oligomeric receptors, the whole functional complex is modelled, and the tentative binding pockets on and between the subunits are established to address all possible mechanisms of action.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q86WV6

UPID:

STING_HUMAN

Alternative names:

Endoplasmic reticulum interferon stimulator; Mediator of IRF3 activation; Transmembrane protein 173

Alternative UPACC:

Q86WV6; A8K3P6; B6EB35; D6RBX0; D6RE01; D6RID9

Background:

The Stimulator of interferon genes protein (STING), encoded by the gene with accession number Q86WV6, plays a pivotal role in the innate immune response. It acts as a sensor of cytosolic DNA from bacteria and viruses, promoting the production of type I interferon. STING recognizes cyclic dinucleotides, leading to a potent anti-viral state. Additionally, it has a direct role in autophagy, targeting cytosolic DNA or DNA viruses for degradation.

Therapeutic significance:

STING-associated vasculopathy, infantile-onset (SAVI) is a severe autoinflammatory disease linked to variants affecting the STING gene. Understanding the role of STING could open doors to potential therapeutic strategies for SAVI and other related inflammatory conditions.