Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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 employ our advanced, specialised process to create targeted 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
P33778
UPID:
H2B1B_HUMAN
Alternative names:
H2B-clustered histone 3; Histone H2B.1; Histone H2B.f
Alternative UPACC:
P33778; Q4KN36
Background:
Histone H2B type 1-B, also known as H2B-clustered histone 3, Histone H2B.1, and Histone H2B.f, is a core component of the nucleosome. Nucleosomes are critical for DNA wrapping and compaction into chromatin, which affects DNA accessibility for transcription, repair, replication, and stability. The regulation of DNA accessibility is mediated through histone modifications and nucleosome remodeling.
Therapeutic significance:
Understanding the role of Histone H2B type 1-B could open doors to potential therapeutic strategies by elucidating its involvement in transcription regulation, DNA repair, DNA replication, and chromosomal stability.