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

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 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.

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

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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

Reaxense

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:

E3 ubiquitin-protein ligase MARCHF5, also known as Membrane-associated RING finger protein 5, plays a pivotal role in mitochondrial dynamics. It acts as a positive regulator of mitochondrial fission, essential for cellular health and function. By promoting the ubiquitination of key proteins such as FIS1, DNM1L, and MFN1, MARCHF5 ensures the proper control of mitochondrial morphology and quality, safeguarding against cellular senescence.

Therapeutic significance:

Understanding the role of E3 ubiquitin-protein ligase MARCHF5 could open doors to potential therapeutic strategies. Its involvement in regulating mitochondrial quality and morphology positions it as a key target for interventions aimed at diseases linked to mitochondrial dysfunction.