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.
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 use our state-of-the-art dedicated workflow for designing 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9UBV8
UPID:
PEF1_HUMAN
Alternative names:
PEF protein with a long N-terminal hydrophobic domain; Penta-EF hand domain-containing protein 1
Alternative UPACC:
Q9UBV8
Background:
Peflin, known for its alternative names such as PEF protein with a long N-terminal hydrophobic domain and Penta-EF hand domain-containing protein 1, is a calcium-binding protein. It functions as an adapter, facilitating the interaction between various proteins or stabilizing protein complexes in response to calcium. Specifically, it plays a crucial role in ER-Golgi transport by regulating COPII coats size, essential for collagen export and neural crest specification.
Therapeutic significance:
Understanding the role of Peflin could open doors to potential therapeutic strategies.