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.
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 high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q8IYW5
UPID:
RN168_HUMAN
Alternative names:
RING finger protein 168; RING-type E3 ubiquitin transferase RNF168
Alternative UPACC:
Q8IYW5; Q8NA67; Q96NS4
Background:
E3 ubiquitin-protein ligase RNF168, also known as RING finger protein 168, plays a pivotal role in DNA damage response. It is essential for the accumulation of repair proteins at DNA damage sites, amplifying histone ubiquitination crucial for the recruitment of repair complexes. This protein's action is vital in maintaining genomic stability by facilitating repair at double-strand breaks and interstrand cross-links, and it also contributes to transcriptional silencing near DNA breaks to prevent repair-transcription conflicts.
Therapeutic significance:
RNF168's involvement in Riddle syndrome, characterized by increased radiosensitivity, immunodeficiency, and developmental challenges, underscores its therapeutic potential. Targeting RNF168 pathways could lead to innovative treatments for this syndrome and enhance our understanding of DNA repair mechanisms, opening doors to potential therapeutic strategies.