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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
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 stands out due to several important features:
partner
Reaxense
upacc
Q6FI13
UPID:
H2A2A_HUMAN
Alternative names:
H2A-clustered histone 18; H2A-clustered histone 19; Histone H2A.2; Histone H2A/o
Alternative UPACC:
Q6FI13; B2R5F0; P20670
Background:
Histone H2A type 2-A, also known as H2A-clustered histone 18, H2A-clustered histone 19, Histone H2A.2, and Histone H2A/o, is a core component of the nucleosome. Nucleosomes wrap and compact DNA into chromatin, crucial for transcription regulation, DNA repair, DNA replication, and chromosomal stability. The regulation of DNA accessibility is mediated through a complex set of histone post-translational modifications, known as the histone code, and nucleosome remodeling.
Therapeutic significance:
Understanding the role of Histone H2A type 2-A could open doors to potential therapeutic strategies.