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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by 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.


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


 

Fig. 1. The screening workflow of Receptor.AI

The approach involves in-depth molecular simulations of the target protein by itself and in complex with its primary partner proteins, paired with ensemble virtual screening that factors in conformational mobility in both the unbound and complex states. The tentative binding pockets are identified at the protein-protein interaction interface and in distant allosteric areas, aiming to capture the full range of mechanisms of action.


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
P05161

UPID:
ISG15_HUMAN

ALTERNATIVE NAMES:
Interferon-induced 15 kDa protein; Interferon-induced 17 kDa protein; Ubiquitin cross-reactive protein

ALTERNATIVE UPACC:
P05161; Q5SVA4; Q7Z2G2; Q96GF0

BACKGROUND:
The Ubiquitin-like protein ISG15, known for its involvement in the immune response to viral infections, operates through ISGylation. This process is critical for activating innate immunity against a range of viruses, including coronaviruses and Ebola virus. ISG15 also plays a role in inhibiting viral replication and budding, showcasing its broad antiviral activity.

THERAPEUTIC SIGNIFICANCE:
Exploring the therapeutic potential of Ubiquitin-like protein ISG15, especially in the context of Immunodeficiency 38, with basal ganglia calcification, highlights its significance in developing novel treatments. The protein's ability to modulate the immune response against infections suggests promising therapeutic applications.

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