Focused On-demand Libraries - Receptor.AI 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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


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 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
P25063

UPID:
CD24_HUMAN

ALTERNATIVE NAMES:
Small cell lung carcinoma cluster 4 antigen

ALTERNATIVE UPACC:
P25063; A0A087WYI6; B6EC88; Q16257; Q53XS0; R4I4T5

BACKGROUND:
The protein CD24 serves as a signal transducer with a pivotal role in various cellular processes, including cell differentiation and immune system modulation. It functions by binding to specific carbohydrates and triggering signaling pathways that influence B-cell activation and proliferation, as well as the suppression of immune responses to certain stress signals.

THERAPEUTIC SIGNIFICANCE:
CD24's association with Multiple sclerosis, a disease characterized by immune-mediated demyelination in the central nervous system, highlights its potential as a target for therapeutic intervention. Understanding the role of CD24 could open doors to potential therapeutic strategies that address the underlying immune dysregulation in Multiple sclerosis.

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