Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
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 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9Y620
UPID:
RA54B_HUMAN
Alternative names:
RAD54 homolog B
Alternative UPACC:
Q9Y620; F6WBS8
Background:
DNA repair and recombination protein RAD54B, also known as RAD54 homolog B, plays a crucial role in DNA repair and mitotic recombination. It functions alongside other members of the RAD52 epistasis group to facilitate the repair of DNA double-strand breaks, ensuring genomic stability and proper cell division.
Therapeutic significance:
Understanding the role of DNA repair and recombination protein RAD54B could open doors to potential therapeutic strategies. Its involvement in DNA repair mechanisms positions it as a key target for developing treatments aimed at enhancing the body's natural ability to combat genetic disorders and improve responses to DNA-damaging agents used in cancer therapy.