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 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.


We use our state-of-the-art dedicated workflow for designing focused 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
P07305

UPID:
H10_HUMAN

ALTERNATIVE NAMES:
Histone H1'; Histone H1(0)

ALTERNATIVE UPACC:
P07305; B2R6I0; B4DRD6; Q6FG88; Q8N6R3

BACKGROUND:
The Histone H1.0 protein, alternatively named Histone H1', is integral for the higher-order condensation of nucleosome chains. This function is essential for maintaining the proper structure of chromatin within the cell. Found in cells undergoing terminal differentiation or with minimal cell division, Histone H1.0 is critical for cell development and lifecycle progression.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of Histone H1.0 opens up new avenues for therapeutic intervention. Given its crucial role in chromatin architecture and cell cycle regulation, targeting Histone H1.0 could provide innovative treatments for conditions marked by deregulated cell growth and differentiation.

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