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.
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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q96A37
UPID:
RN166_HUMAN
Alternative names:
RING finger protein 166; RING-type E3 ubiquitin transferase RNF166
Alternative UPACC:
Q96A37; B3KQ03; D3DX75; H3BTU8; Q96DM0
Background:
E3 ubiquitin-protein ligase RNF166, also known as RING finger protein 166, is a pivotal enzyme in ubiquitination, impacting various biological processes such as interferon production and autophagy. It facilitates the ubiquitination of TRAF3 and TRAF6, enhancing interferon-beta production in response to RNA viruses, and mediates 'Lys-29' and 'Lys-33'-linked ubiquitination of SQSTM1, targeting bacteria for xenophagy.
Therapeutic significance:
Understanding the role of E3 ubiquitin-protein ligase RNF166 could open doors to potential therapeutic strategies.