Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 top-notch dedicated system is used to design specialised libraries.
Fig. 1. The sreening 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P04908
UPID:
H2A1B_HUMAN
Alternative names:
Histone H2A.2; Histone H2A/a; Histone H2A/m
Alternative UPACC:
P04908; P28001; Q76P63
Background:
Histone H2A type 1-B/E, also known as Histone H2A.2, Histone H2A/a, and Histone H2A/m, is a core component of the nucleosome. Nucleosomes are critical for DNA compaction into chromatin, influencing DNA's accessibility to essential cellular processes like transcription, repair, replication, and chromosomal stability. The regulation of DNA accessibility is mediated through histone modifications, known as the histone code, and nucleosome remodeling.
Therapeutic significance:
Understanding the role of Histone H2A type 1-B/E could open doors to potential therapeutic strategies by elucidating its involvement in transcription regulation, DNA repair, DNA replication, and chromosomal stability.