Focused On-demand Library for Cytochrome c oxidase subunit 7B, 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.

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 employ our advanced, specialised process to create targeted 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.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

P24311

UPID:

COX7B_HUMAN

Alternative names:

Cytochrome c oxidase polypeptide VIIb

Alternative UPACC:

P24311; B2R4M3; Q6ICR1

Background:

Cytochrome c oxidase subunit 7B, mitochondrial, also known as Cytochrome c oxidase polypeptide VIIb, plays a crucial role in the mitochondrial electron transport chain. It is a key component of cytochrome c oxidase, the enzyme responsible for the reduction of oxygen to water, facilitating oxidative phosphorylation and ATP production. This process is vital for cellular energy supply.

Therapeutic significance:

The protein is linked to Linear skin defects with multiple congenital anomalies 2, a disease characterized by skin defects, growth retardation, and cardiac abnormalities. Understanding the role of Cytochrome c oxidase subunit 7B could open doors to potential therapeutic strategies for this and related disorders.