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.
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.
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.
We utilise our cutting-edge, exclusive workflow to develop focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q8IYU8
UPID:
MICU2_HUMAN
Alternative names:
EF-hand domain-containing family member A1
Alternative UPACC:
Q8IYU8; Q8N0T6; Q8NAX8
Background:
Calcium uptake protein 2, mitochondrial, also known as EF-hand domain-containing family member A1, plays a pivotal role in regulating mitochondrial calcium uniporter (MCU) activity. It forms a disulfide-linked heterodimer with MICU1, modulating MCU activity in response to cytoplasmic calcium levels. This regulation is crucial for preventing calcium overload in mitochondria, which can lead to energy dissipation and cell death.
Therapeutic significance:
Understanding the role of Calcium uptake protein 2, mitochondrial could open doors to potential therapeutic strategies.