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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We utilise our cutting-edge, exclusive workflow to develop focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
Q93077
UPID:
H2A1C_HUMAN
Alternative names:
H2A-clustered histone 6; Histone H2A/l
Alternative UPACC:
Q93077; B2R4F7; O00775; O00776; O00777; O00778; Q540R1
Background:
Histone H2A type 1-C, also known as H2A-clustered histone 6 and Histone H2A/l, 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 regulation, DNA 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-C could open doors to potential therapeutic strategies by elucidating its involvement in transcription regulation, DNA repair, DNA replication, and chromosomal stability.