Focused On-demand Library for 4-hydroxybenzoate polyprenyltransferase, mitochondrial

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.


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


The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.


Our library stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
Q96H96

UPID:
COQ2_HUMAN

ALTERNATIVE NAMES:
4-hydroxybenzoate decaprenyltransferase; COQ2 homolog; Para-hydroxybenzoate--polyprenyltransferase

ALTERNATIVE UPACC:
Q96H96; A0A1D8H0A6; O95331; Q1JQ78; Q684R2

BACKGROUND:
The enzyme 4-hydroxybenzoate polyprenyltransferase, located in mitochondria, is crucial for CoQ10 production, a key molecule in mitochondrial energy transfer. It specifically mediates the synthesis of CoQ10, vital for cellular respiration and antioxidant protection.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of 4-hydroxybenzoate polyprenyltransferase could open doors to potential therapeutic strategies for diseases like Coenzyme Q10 deficiency and Multiple system atrophy 1, highlighting its significance in neurodegenerative and metabolic disorders.

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