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.
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.
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.
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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9UBI1
UPID:
COMD3_HUMAN
Alternative names:
Protein Bup; Protein PIL
Alternative UPACC:
Q9UBI1; D3DRU7; Q5T8Y9
Background:
COMM domain-containing protein 3, also known as Protein Bup and Protein PIL, plays a crucial role in cellular processes. It modulates the activity of cullin-RING E3 ubiquitin ligase complexes, down-regulates NF-kappa-B activation, and regulates Na(+) transport in epithelial cells by influencing the apical cell surface expression of ENaC subunits.
Therapeutic significance:
Understanding the role of COMM domain-containing protein 3 could open doors to potential therapeutic strategies.