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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
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
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
Q92698
UPID:
RAD54_HUMAN
Alternative names:
RAD54 homolog
Alternative UPACC:
Q92698; Q5TE31; Q6IUY3
Background:
The DNA repair and recombination protein RAD54-like plays a pivotal role in homologous recombination, a key pathway for repairing DNA double-strand breaks, single-stranded DNA gaps, and addressing stalled or collapsed replication forks. It functions as a molecular motor, facilitating the homology search and guiding RAD51 ssDNA along donor dsDNA, thereby enhancing the efficiency of the homology search mechanism. Additionally, it is crucial in RAD51-mediated synaptic complex formation and in dissociating RAD51 from nucleoprotein filaments on dsDNA.
Therapeutic significance:
Understanding the role of DNA repair and recombination protein RAD54-like could open doors to potential therapeutic strategies.