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.
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.
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.
We utilise our cutting-edge, exclusive workflow to develop focused 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 stands out due to several important features:
partner
Reaxense
upacc
Q9BV68
UPID:
RN126_HUMAN
Alternative names:
RING finger protein 126
Alternative UPACC:
Q9BV68; Q9NWX1
Background:
E3 ubiquitin-protein ligase RNF126, also known as RING finger protein 126, plays a crucial role in protein ubiquitination, impacting various cellular processes. It mediates both 'Lys-48'- and 'Lys-63'-linked polyubiquitination, essential for protein degradation and signaling. RNF126 is pivotal in a quality control process, ensuring mislocalized secretory pathway proteins are degraded. It also influences the endosomal recycling of key receptors and promotes cell proliferation by targeting CDKN1A/p21 for degradation.
Therapeutic significance:
Understanding the role of E3 ubiquitin-protein ligase RNF126 could open doors to potential therapeutic strategies. Its involvement in protein ubiquitination and degradation pathways highlights its potential as a target in diseases where these processes are dysregulated.