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.
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.
We use our state-of-the-art dedicated workflow for designing focused libraries for receptors.
Fig. 1. The sreening workflow of Receptor.AI
It features thorough molecular simulations of the receptor within its native membrane environment, complemented by ensemble virtual screening that considers its conformational mobility. For dimeric or oligomeric receptors, the full functional complex is constructed, and tentative binding sites are determined on and between the subunits to cover the entire spectrum of potential mechanisms of action.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q8IVG9
UPID:
HUNIN_HUMAN
Alternative names:
Humanin mitochondrial
Alternative UPACC:
Q8IVG9
Background:
Humanin, a mitochondrial-derived peptide, plays a pivotal role in neuroprotection and cellular survival. It interacts with various receptors and proteins to inhibit neuronal cell death, amyloid-beta fibril formation, and apoptosis. Its ability to bind to BAX, BID, and BIM, and to modulate the activity of anti-apoptotic proteins, underscores its significance in cellular defense mechanisms.
Therapeutic significance:
Understanding the role of Humanin could open doors to potential therapeutic strategies. Its neuroprotective properties and involvement in preventing amyloid-beta fibril formation make it a promising target for Alzheimer's disease intervention. Additionally, its capacity to suppress apoptosis and promote cellular survival highlights its therapeutic potential in various neurodegenerative disorders.