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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We utilise our cutting-edge, exclusive workflow to develop focused 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q9ULG1
UPID:
INO80_HUMAN
Alternative names:
DNA helicase-related INO80 complex homolog 1; DNA helicase-related protein INO80; INO80 complex subunit A
Alternative UPACC:
Q9ULG1; A6H8X4; Q9NTG6
Background:
Chromatin-remodeling ATPase INO80 plays a pivotal role in transcriptional regulation, DNA replication, and repair by shifting nucleosomes and binding DNA. It's part of the INO80 complex, essential for transcriptional coactivation, UV-damage repair, and microtubule assembly during mitosis, influencing chromosome segregation.
Therapeutic significance:
Understanding the role of Chromatin-remodeling ATPase INO80 could open doors to potential therapeutic strategies.