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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
O60671
UPID:
RAD1_HUMAN
Alternative names:
DNA repair exonuclease rad1 homolog; Rad1-like DNA damage checkpoint protein
Alternative UPACC:
O60671; O75572; O95304; Q1W161; Q5KSM0; Q5KSM1; Q9UEP1
Background:
Cell cycle checkpoint protein RAD1, also known as DNA repair exonuclease rad1 homolog and Rad1-like DNA damage checkpoint protein, is a key component of the 9-1-1 cell-cycle checkpoint response complex. This complex plays a pivotal role in DNA repair, being recruited to DNA lesions upon damage. It acts as a sliding clamp platform for several proteins involved in long-patch base excision repair (LP-BER), thereby facilitating DNA polymerase beta activity, endonuclease FEN1 cleavage activity, and DNA ligase I activity on repair substrates.
Therapeutic significance:
Understanding the role of Cell cycle checkpoint protein RAD1 could open doors to potential therapeutic strategies.