Focused On-demand Library for Cytochrome c oxidase subunit 5A, mitochondrial

Focused On-demand Libraries - Reaxense Collaboration

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:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

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.