Focused On-demand Library for Cytochrome b-c1 complex subunit 6, mitochondrial

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse 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

P07919

UPID:

QCR6_HUMAN

Alternative names:

Complex III subunit 6; Complex III subunit VIII; Cytochrome c1 non-heme 11 kDa protein; Mitochondrial hinge protein; Ubiquinol-cytochrome c reductase complex 11 kDa protein

Alternative UPACC:

P07919; B2R4V9; D3DQ18; Q5TDF6; Q6LDB8; Q9BQ91

Background:

Cytochrome b-c1 complex subunit 6, mitochondrial, also known as Complex III subunit 6, plays a crucial role in the mitochondrial electron transport chain. This protein is a component of the ubiquinol-cytochrome c oxidoreductase, facilitating the transfer of electrons from ubiquinol to cytochrome c. This process is vital for oxidative phosphorylation, which generates ATP, the energy currency of the cell.

Therapeutic significance:

The protein is linked to Mitochondrial complex III deficiency, nuclear type 11, a condition characterized by severe lactic acidosis and encephalopathy. Understanding the role of Cytochrome b-c1 complex subunit 6 could open doors to potential therapeutic strategies for this and related mitochondrial disorders.