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.
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.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
Our top-notch dedicated system is used to design specialised 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 stands out due to several important features:
partner
Reaxense
upacc
P46063
UPID:
RECQ1_HUMAN
Alternative names:
DNA helicase, RecQ-like type 1; DNA-dependent ATPase Q1; RecQ protein-like 1
Alternative UPACC:
P46063; A8K6G2
Background:
ATP-dependent DNA helicase Q1, also known as DNA helicase, RecQ-like type 1, DNA-dependent ATPase Q1, and RecQ protein-like 1, plays a crucial role in DNA repair mechanisms. It exhibits a magnesium-dependent ATPase activity that unwinds single- and double-stranded DNA in a 3'-5' direction, essential for repairing DNA damaged by ultraviolet light or other mutagens.
Therapeutic significance:
Understanding the role of ATP-dependent DNA helicase Q1 could open doors to potential therapeutic strategies.