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.
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.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We use our state-of-the-art dedicated workflow for designing 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
Q53FT3
UPID:
HIKES_HUMAN
Alternative names:
-
Alternative UPACC:
Q53FT3; Q8WVE8; Q9NVQ2; Q9NZZ1; Q9P022; Q9P0N1
Background:
Protein Hikeshi plays a crucial role in cellular defense against heat shock by specifically transporting ATP-bound HSP70 proteins into the nucleus. This process is vital for the protection of cells under stress conditions, ensuring cellular integrity and survival.
Therapeutic significance:
The association of Protein Hikeshi with Leukodystrophy, hypomyelinating, 13, a neurodegenerative disorder, highlights its potential as a target for therapeutic intervention. Understanding the role of Protein Hikeshi could open doors to potential therapeutic strategies.