Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We utilise our cutting-edge, exclusive workflow to develop focused 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q96K21
UPID:
ANCHR_HUMAN
Alternative names:
MLL partner containing FYVE domain; Zinc finger FYVE domain-containing protein 19
Alternative UPACC:
Q96K21; B3KVB2; C9JNF4; H3BUF9; Q86WC2; Q8WU96
Background:
The Abscission/NoCut checkpoint regulator, also known as Zinc finger FYVE domain-containing protein 19, plays a pivotal role in cytokinesis. It ensures the proper timing of abscission, preventing premature resolution of intercellular chromosome bridges and DNA damage accumulation. This protein, alongside CHMP4C, maintains VPS4 at the midbody ring until the abscission checkpoint signaling concludes.
Therapeutic significance:
Linked to Cholestasis, progressive familial intrahepatic, 9 (PFIC9), a severe liver disorder, understanding the Abscission/NoCut checkpoint regulator's role could unveil new therapeutic avenues. The PFIC9-associated variant p.M76V suggests a direct impact on protein function, highlighting its potential as a therapeutic target.