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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9UBZ9
UPID:
REV1_HUMAN
Alternative names:
Alpha integrin-binding protein 80; Rev1-like terminal deoxycytidyl transferase
Alternative UPACC:
Q9UBZ9; O95941; Q53SI7; Q9C0J4; Q9NUP2
Background:
DNA repair protein REV1, also known as Alpha integrin-binding protein 80 and Rev1-like terminal deoxycytidyl transferase, plays a crucial role in DNA repair. It is responsible for transferring a dCMP residue from dCTP to the 3'-end of a DNA primer in a template-dependent reaction, aiding in the bypass of abasic lesions by inserting a nucleotide opposite the lesion. This process is vital for the normal induction of mutations by physical and chemical agents.
Therapeutic significance:
Understanding the role of DNA repair protein REV1 could open doors to potential therapeutic strategies. Its involvement in DNA repair mechanisms highlights its importance in maintaining genomic stability and preventing mutations, offering a promising target for drug discovery efforts aimed at enhancing DNA repair pathways.