Focused On-demand Library for Cytochrome c oxidase subunit 6A2, mitochondrial

Focused On-demand Libraries - Reaxense Collaboration

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.

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 high-tech, dedicated method is applied to construct targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q02221

UPID:

CX6A2_HUMAN

Alternative names:

Cytochrome c oxidase polypeptide VIa-heart; Cytochrome c oxidase subunit VIA-muscle

Alternative UPACC:

Q02221; O00761; Q6GTW6

Background:

Cytochrome c oxidase subunit 6A2, mitochondrial, also known as Cytochrome c oxidase polypeptide VIa-heart or muscle, plays a pivotal role in the mitochondrial electron transport chain. It is integral to the process of oxidative phosphorylation, facilitating the reduction of oxygen to water and thereby driving ATP synthesis. This protein is a component of cytochrome c oxidase, the last enzyme in the chain, crucial for energy production in cells.

Therapeutic significance:

The protein's association with Mitochondrial complex IV deficiency, nuclear type 18, a disorder marked by muscle weakness and cardiomyopathy, underscores its therapeutic significance. Understanding the role of Cytochrome c oxidase subunit 6A2 could open doors to potential therapeutic strategies for mitochondrial disorders.