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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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 use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse 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.