Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9NTX7
UPID:
RN146_HUMAN
Alternative names:
Dactylidin; Iduna; RING finger protein 146; RING-type E3 ubiquitin transferase RNF146
Alternative UPACC:
Q9NTX7; E1P572; Q6FIB2; Q7L8H4; Q96K03; Q96T06; Q9NTX6
Background:
E3 ubiquitin-protein ligase RNF146, known as Iduna, plays a pivotal role in DNA damage response and cell survival. It mediates ubiquitination and degradation of poly-ADP-ribosylated proteins, crucial for regulating biological processes such as Wnt signaling pathway activation. RNF146's interaction with tankyrase proteins enhances its neuroprotective functions, safeguarding the brain from excitotoxicity and ischemia.
Therapeutic significance:
Understanding the role of E3 ubiquitin-protein ligase RNF146 could open doors to potential therapeutic strategies.