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.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q96EP0
UPID:
RNF31_HUMAN
Alternative names:
HOIL-1-interacting protein; RING finger protein 31; RING-type E3 ubiquitin transferase RNF31; Zinc in-between-RING-finger ubiquitin-associated domain protein
Alternative UPACC:
Q96EP0; A0A962; Q86VI2; Q8TEI0; Q96GB4; Q96NF1; Q9H5F1; Q9NWD2
Background:
E3 ubiquitin-protein ligase RNF31, also known as HOIL-1-interacting protein, plays a pivotal role in the regulation of inflammation and NF-kappa-B activation through its involvement in the LUBAC complex. This complex is crucial for conjugating linear polyubiquitin chains to substrates, thereby influencing key signaling pathways such as the canonical NF-kappa-B and JNK pathways. RNF31's function extends to preventing TNF-induced cell death, promoting innate immunity, and regulating the canonical Wnt signaling during angiogenesis.
Therapeutic significance:
Understanding the role of E3 ubiquitin-protein ligase RNF31 could open doors to potential therapeutic strategies.