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 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P0C0S5
UPID:
H2AZ_HUMAN
Alternative names:
-
Alternative UPACC:
P0C0S5; B2RD56; P17317; Q6I9U0
Background:
Histone H2A.Z, encoded by the gene with accession number P0C0S5, is a variant histone that plays a pivotal role in the organization of chromatin structure. It replaces conventional H2A in a subset of nucleosomes, thereby influencing DNA accessibility for transcription, repair, replication, and chromosomal stability. Its involvement in post-translational modifications and nucleosome remodeling is crucial for the regulation of gene expression and maintenance of genomic integrity.
Therapeutic significance:
Understanding the role of Histone H2A.Z could open doors to potential therapeutic strategies. Its critical function in chromatin remodeling and gene expression regulation suggests that modulating its activity could offer new avenues for the treatment of diseases where these processes are disrupted.