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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
Our top-notch dedicated system is used to design specialised 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.
Key features that set our library apart include:
partner
Reaxense
upacc
P20674
UPID:
COX5A_HUMAN
Alternative names:
Cytochrome c oxidase polypeptide Va
Alternative UPACC:
P20674; P30045; Q8TB65
Background:
Cytochrome c oxidase subunit 5A, mitochondrial, also known as Cytochrome c oxidase polypeptide Va, plays a pivotal role in the mitochondrial electron transport chain. It is a crucial component of cytochrome c oxidase, the enzyme responsible for the reduction of oxygen to water, facilitating oxidative phosphorylation. This process is vital for the production of ATP, the energy currency of the cell.
Therapeutic significance:
The protein is linked to Mitochondrial complex IV deficiency, nuclear type 20, a severe mitochondrial disorder manifesting in early infancy with symptoms such as pulmonary arterial hypertension and metabolic acidosis, often leading to death due to cardiorespiratory failure. Understanding the role of Cytochrome c oxidase subunit 5A could open doors to potential therapeutic strategies for this condition.