AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Collectin-10

Available from Reaxense
Predicted by Alphafold

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.

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

 Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide 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

Reaxense

upacc

Q9Y6Z7

UPID:

COL10_HUMAN

Alternative names:

Collectin liver protein 1; Collectin-34

Alternative UPACC:

Q9Y6Z7; Q3SYH6; Q6UW19

Background:

Collectin-10, also known as Collectin liver protein 1 or Collectin-34, is a lectin that exhibits a strong affinity for various sugars, with a preference hierarchy of galactose > mannose = fucose > N-acetylglucosamine > N-acetylgalactosamine. This protein plays a crucial role in the immune system by acting as a chemoattractant, which is likely involved in regulating cell migration.

Therapeutic significance:

Collectin-10 is implicated in 3MC syndrome 3, a genetic disorder characterized by a spectrum of anomalies including facial dysmorphism, craniosynostosis, and learning disabilities. Understanding the role of Collectin-10 could open doors to potential therapeutic strategies for treating or managing this complex syndrome.

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