Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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.
Our top-notch dedicated system is used to design specialised 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q9NX55
UPID:
HYPK_HUMAN
Alternative names:
Huntingtin yeast partner K
Alternative UPACC:
Q9NX55; C9JKJ0; O75408; Q8WUW8; Q9P024
Background:
Huntingtin-interacting protein K, also known as Huntingtin yeast partner K, plays a crucial role in cellular processes. It is a component of several N-terminal acetyltransferase complexes, where it inhibits the N-terminal acetylation activity of the NatA complex. Additionally, it exhibits chaperone-like activity that prevents polyglutamine aggregation in neuronal cells, potentially mitigating neurodegenerative processes.
Therapeutic significance:
Understanding the role of Huntingtin-interacting protein K could open doors to potential therapeutic strategies, especially in the context of neurodegenerative diseases where protein aggregation is a hallmark.