Focused On-demand Library for Myotubularin-related protein 14

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

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

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 employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

Q8NCE2

UPID:

MTMRE_HUMAN

Alternative names:

HCV NS5A-transactivated protein 4 splice variant A-binding protein 1; hJumpy

Alternative UPACC:

Q8NCE2; Q0JTH5; Q0JU83; Q6PIZ4; Q6QE21; Q86VK9; Q8IYK1; Q8TCM7; Q9H6C0

Background:

Myotubularin-related protein 14, also known as hJumpy and encoded by the gene MTMR14, plays a crucial role in cellular processes through its function as a lipid phosphatase. It specifically dephosphorylates phosphatidylinositol 3-phosphate (PtdIns3P) and PtdIns(3,5)P2, pivotal in cellular signaling and membrane trafficking. The protein's alternative names include HCV NS5A-transactivated protein 4 splice variant A-binding protein 1.

Therapeutic significance:

The protein's involvement in Myopathy, centronuclear, 1, a congenital muscle disorder, underscores its therapeutic significance. Mutations in MTMR14, affecting enzymatic function, have been identified in sporadic cases of this myopathy, suggesting its potential as a disease modifier. This insight into MTMR14's role in muscle pathology opens avenues for targeted therapeutic strategies, aiming to mitigate or reverse the progression of centronuclear myopathy.