Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.


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.


We employ our advanced, specialised process to create targeted libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive 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
Q9BWP8

UPID:
COL11_HUMAN

ALTERNATIVE NAMES:
Collectin kidney protein 1

ALTERNATIVE UPACC:
Q9BWP8; A1IGE4; A1IGE5; A1IGE6; A7VJJ2; A7VJJ3; A7VJJ4; A7VJJ5; B2R9M5; B4E1G0; J3KQY9; Q5CZ85; Q7Z6N1

BACKGROUND:
Collectin-11 plays a pivotal role in the human body, functioning as a lectin that contributes to innate immunity, apoptosis, and embryogenesis. It binds to specific glycoproteins and lipopolysaccharides, facilitating the body's response to pathogens and apoptotic cells. Its role extends to embryonic development, where it serves as a guidance cue for migrating cells.

THERAPEUTIC SIGNIFICANCE:
Given its critical functions and association with 3MC syndrome 2, a genetic disorder with diverse physical manifestations, Collectin-11 presents a promising avenue for research into novel therapeutic approaches. Understanding the role of Collectin-11 could open doors to potential therapeutic strategies.

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