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

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

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

P47985

UPID:

UCRI_HUMAN

Alternative names:

Complex III subunit 5; Cytochrome b-c1 complex subunit 5; Rieske iron-sulfur protein; Rieske protein UQCRFS1; Ubiquinol-cytochrome c reductase iron-sulfur subunit

Alternative UPACC:

P47985; A8K519; Q6NVX5; Q9UPH2

Background:

The Cytochrome b-c1 complex subunit Rieske, mitochondrial, known as UQCRFS1, plays a pivotal role in the mitochondrial electron transport chain. This protein is a component of the ubiquinol-cytochrome c oxidoreductase complex, essential for oxidative phosphorylation. It facilitates the transfer of electrons from ubiquinol to cytochrome c, a critical step in the generation of ATP, the cell's energy currency.

Therapeutic significance:

Mutations in UQCRFS1 are linked to Mitochondrial complex III deficiency, nuclear type 10, manifesting in symptoms like hypertrophic cardiomyopathy and lactic acidosis. Understanding the role of UQCRFS1 could open doors to potential therapeutic strategies for this condition, highlighting its importance in medical research.