Focused On-demand Library for Ubiquinol-cytochrome-c reductase complex assembly factor 3

Focused On-demand Libraries - Receptor.AI 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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


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 utilise our cutting-edge, exclusive workflow to develop focused libraries.


 

Fig. 1. The screening 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.


Our library is unique due to several crucial aspects:


  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.

  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.

  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.

  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

PARTNER
Receptor.AI
 
UPACC
Q6UW78

UPID:
UQCC3_HUMAN

ALTERNATIVE NAMES:
Assembly factor CBP4 homolog

ALTERNATIVE UPACC:
Q6UW78; Q5FVD5

BACKGROUND:
The protein Ubiquinol-cytochrome-c reductase complex assembly factor 3, with its alternative name Assembly factor CBP4 homolog, is crucial for mitochondrial energy production. It ensures the proper assembly and function of the mitochondrial respiratory chain complex III, which is vital for ATP synthesis. Additionally, it regulates the cardiolipin content of mitochondrial membranes, affecting their structure.

THERAPEUTIC SIGNIFICANCE:
Its malfunction is associated with Mitochondrial complex III deficiency, nuclear type 9, characterized by feeding difficulties, severe lactic acidosis, and delayed development. The exploration of this protein's function offers promising avenues for developing treatments for energy metabolism disorders.

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