Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library distinguishes itself through several key 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.