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.
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
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 is unique due to several crucial aspects:
partner
Reaxense
upacc
O94761
UPID:
RECQ4_HUMAN
Alternative names:
DNA helicase, RecQ-like type 4; RTS; RecQ protein-like 4
Alternative UPACC:
O94761; A0A087WZ30; Q3Y424; Q96DW2; Q96F55
Background:
ATP-dependent DNA helicase Q4, also known as DNA helicase, RecQ-like type 4, RTS, and RecQ protein-like 4, plays a crucial role in DNA repair mechanisms. Its activity as a DNA-dependent ATPase may modulate chromosome segregation, highlighting its importance in maintaining genomic stability.
Therapeutic significance:
The protein is implicated in RAPADILINO syndrome, Baller-Gerold syndrome, and Rothmund-Thomson syndrome 2, all of which are caused by variants affecting its gene. Understanding the role of ATP-dependent DNA helicase Q4 could open doors to potential therapeutic strategies for these genetic disorders.