Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
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
Q9BXU9
UPID:
CABP8_HUMAN
Alternative names:
Calneuron I; Calneuron-1
Alternative UPACC:
Q9BXU9; J3KQA7
Background:
Calcium-binding protein 8, also known as Calneuron I or Calneuron-1, plays a crucial role in cellular processes by negatively regulating Golgi-to-plasma membrane trafficking. It achieves this by interacting with PI4KB and inhibiting its activity, which is vital for the proper functioning of neurons. This protein is potentially significant in the physiology of neurons, influencing memory and learning.
Therapeutic significance:
Understanding the role of Calcium-binding protein 8 could open doors to potential therapeutic strategies. Its involvement in neuronal function and memory formation highlights its importance in neurological health and disease.