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 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
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 is unique due to several crucial aspects:
partner
Reaxense
upacc
P25705
UPID:
ATPA_HUMAN
Alternative names:
ATP synthase F1 subunit alpha
Alternative UPACC:
P25705; A8K092; B4DY56; K7ENP3; Q53XX6; Q8IXV2; Q96FB4; Q96HW2; Q96IR6; Q9BTV8
Background:
ATP synthase subunit alpha, mitochondrial, also known as ATP synthase F1 subunit alpha, plays a pivotal role in cellular energy production. It is integral to the mitochondrial membrane ATP synthase complex, which generates ATP from ADP, utilizing a proton gradient created by respiratory chain complexes. This process is vital for a wide range of cellular functions and energy demands.
Therapeutic significance:
The protein is linked to diseases such as Combined oxidative phosphorylation deficiency 22 and Mitochondrial complex V deficiency, nuclear type 4, highlighting its critical role in mitochondrial disorders. Understanding the role of ATP synthase subunit alpha, mitochondrial could open doors to potential therapeutic strategies for these conditions.