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.
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.
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.
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
Q02880
UPID:
TOP2B_HUMAN
Alternative names:
DNA topoisomerase II, beta isozyme
Alternative UPACC:
Q02880; Q13600; Q9UMG8; Q9UQP8
Background:
DNA topoisomerase 2-beta, also known as DNA topoisomerase II, beta isozyme, plays a pivotal role in DNA replication, transcription, and chromosome segregation. It functions by altering DNA topology, crucial for B-cell differentiation.
Therapeutic significance:
The protein is linked to a disorder characterized by B-cell immunodeficiency, limb anomalies, and urogenital malformations. Targeting DNA topoisomerase 2-beta could lead to novel treatments for this genetic condition.