Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q86XE3
UPID:
MICU3_HUMAN
Alternative names:
EF-hand domain-containing family member A2
Alternative UPACC:
Q86XE3; Q8IYZ3
Background:
Calcium uptake protein 3, mitochondrial, also known as EF-hand domain-containing family member A2, is implicated in mitochondrial calcium uptake. This protein's involvement in calcium homeostasis suggests a critical role in cellular energy metabolism and signaling.
Therapeutic significance:
Understanding the role of Calcium uptake protein 3, mitochondrial could open doors to potential therapeutic strategies. Its pivotal function in calcium regulation offers a promising avenue for targeting disorders related to calcium dysregulation.