AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Histone H1.0

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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

P07305

UPID:

H10_HUMAN

Alternative names:

Histone H1'; Histone H1(0)

Alternative UPACC:

P07305; B2R6I0; B4DRD6; Q6FG88; Q8N6R3

Background:

Histone H1.0, also known as Histone H1', plays a pivotal role in the condensation of nucleosome chains into higher-order structures. This process is crucial for the structural organization of chromatin in cells. Histone H1.0 is predominantly found in cells at terminal differentiation stages or those with low cell division rates, highlighting its importance in cell lifecycle regulation.

Therapeutic significance:

Understanding the role of Histone H1.0 could open doors to potential therapeutic strategies. Its involvement in chromatin structure regulation makes it a key player in cellular differentiation and proliferation processes, offering a novel angle for targeting diseases characterized by abnormal cell growth and differentiation.

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