Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
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.
We use our state-of-the-art dedicated workflow for designing focused 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.
Key features that set our library apart include:
partner
Reaxense
upacc
P20671
UPID:
H2A1D_HUMAN
Alternative names:
Histone H2A.3; Histone H2A/g
Alternative UPACC:
P20671; A0PK91; P57754; Q6FGY6
Background:
Histone H2A type 1-D, also known as Histone H2A.3 and Histone H2A/g, is a core component of the nucleosome. Nucleosomes are critical for DNA wrapping and compaction into chromatin, which influences DNA's accessibility to essential cellular processes like transcription regulation, DNA repair, DNA 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 1-D could open doors to potential therapeutic strategies by elucidating its involvement in chromosomal stability and gene expression regulation.