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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, 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 utilise our cutting-edge, exclusive workflow to develop focused 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:
partner
Reaxense
upacc
Q16777
UPID:
H2A2C_HUMAN
Alternative names:
H2A-clustered histone 20; Histone H2A-GL101; Histone H2A/q
Alternative UPACC:
Q16777; Q6DRA7; Q8IUE5
Background:
Histone H2A type 2-C, also known as H2A-clustered histone 20, Histone H2A-GL101, and Histone H2A/q, is a core component of the nucleosome. Nucleosomes are critical for DNA wrapping and compaction into chromatin, which influences DNA accessibility for transcription, repair, replication, and chromosomal stability. The regulation of DNA accessibility is mediated through histone modifications and nucleosome remodeling.
Therapeutic significance:
Understanding the role of Histone H2A type 2-C could open doors to potential therapeutic strategies.