Focused On-demand Library for Myoferlin

Focused On-demand Libraries - Reaxense 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.

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

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

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

Reaxense

upacc

Q9NZM1

UPID:

MYOF_HUMAN

Alternative names:

Fer-1-like protein 3

Alternative UPACC:

Q9NZM1; B3KQN5; Q5VWW2; Q5VWW3; Q5VWW4; Q5VWW5; Q7Z642; Q8IWH0; Q9HBU3; Q9NZM0; Q9ULL3; Q9Y4U4

Background:

Myoferlin, a calcium/phospholipid-binding protein, plays a crucial role in endothelial cells' plasmalemma repair mechanism, allowing for rapid membrane resealing after mechanical stress. It is also involved in endocytic recycling and VEGF signal transduction through regulation of KDR receptor levels. Known alternatively as Fer-1-like protein 3, Myoferlin is pivotal in cellular repair and signaling processes.

Therapeutic significance:

Myoferlin's involvement in Hereditary Angioedema Type 7, characterized by recurrent swelling in various body parts, underscores its therapeutic potential. Understanding Myoferlin's role could open doors to novel therapeutic strategies for managing this condition and enhancing endothelial repair mechanisms.