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.
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
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
Q16695
UPID:
H31T_HUMAN
Alternative names:
H3/g; Histone H3.4
Alternative UPACC:
Q16695; B2R5K3; Q6FGU4
Background:
Histone H3.1t, also known as H3/g or Histone H3.4, 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, forming the basis of the histone code, and nucleosome remodeling.
Therapeutic significance:
Understanding the role of Histone H3.1t could open doors to potential therapeutic strategies.