Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
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.
We employ our advanced, specialised process to create targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q9H981
UPID:
ARP8_HUMAN
Alternative names:
INO80 complex subunit N
Alternative UPACC:
Q9H981; B3KSW7; Q8N566; Q9H663
Background:
Actin-related protein 8, alternatively known as INO80 complex subunit N, plays a crucial role in chromosome organization during mitosis. It exhibits basal ATPase activity and is essential for the INO80 complex's functions in transcription regulation, DNA replication, and repair. Its preference for nucleosomes over dimers suggests a unique nucleosome recognition capability.
Therapeutic significance:
Understanding the role of Actin-related protein 8 could open doors to potential therapeutic strategies.