Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 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.


 

Fig. 1. The screening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.


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
O60931

UPID:
CTNS_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
O60931; D3DTJ5; Q8IZ01; Q9UNK6

BACKGROUND:
The protein Cystinosin, identified by the unique identifier O60931, serves as a key cystine/H(+) symporter, essential for the export of cystine from lysosomes. Its significant function extends to melanin synthesis, where it aids in cystine export from melanosomes, potentially affecting pheomelanin synthesis. Additionally, Cystinosin is a regulator of mTORC1 signaling in kidney cells and plays a role in the trafficking and lysosomal positioning of LAMP2A, independent of its cystine transporter activity.

THERAPEUTIC SIGNIFICANCE:
Dysfunction in Cystinosin is associated with cystinosis, manifesting in various forms such as nephropathic cystinosis, adult non-nephropathic cystinosis, and late-onset juvenile nephropathic cystinosis. These conditions underscore the therapeutic significance of Cystinosin, as understanding its role could lead to innovative treatments for these lysosomal storage diseases.

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