Focused On-demand Library for E3 ubiquitin-protein ligase MARCHF5

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by Reaxense.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


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


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.


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
Receptor.AI
 
UPACC
Q9NX47

UPID:
MARH5_HUMAN

ALTERNATIVE NAMES:
Membrane-associated RING finger protein 5; Membrane-associated RING-CH protein V; Mitochondrial ubiquitin ligase; RING finger protein 153; RING-type E3 ubiquitin transferase MARCHF5

ALTERNATIVE UPACC:
Q9NX47

BACKGROUND:
The protein E3 ubiquitin-protein ligase MARCHF5, with alternative names such as Mitochondrial ubiquitin ligase and RING finger protein 153, is crucial for mitochondrial morphology regulation. It serves as a positive regulator of mitochondrial fission, a process vital for cellular health. MARCHF5's role in the ubiquitination of mitochondrial proteins like FIS1, DNM1L, and MFN1 underscores its importance in mitochondrial quality control and the prevention of cellular aging.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of E3 ubiquitin-protein ligase MARCHF5 holds promise for uncovering new therapeutic avenues. Given its critical role in mitochondrial dynamics and quality control, targeting MARCHF5 could lead to innovative treatments for conditions associated with mitochondrial abnormalities.

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