Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.


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


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


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


 

Fig. 1. The screening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.


PARTNER
Receptor.AI
 
UPACC
O95248

UPID:
MTMR5_HUMAN

ALTERNATIVE NAMES:
Inactive phosphatidylinositol 3-phosphatase 5; SET-binding factor 1

ALTERNATIVE UPACC:
O95248; A0A024R4Z9; A6PVG9; G5E933; O60228; Q5JXD8; Q5PPM2; Q96GR9; Q9UGB8

BACKGROUND:
The protein Myotubularin-related protein 5, with alternative names Inactive phosphatidylinositol 3-phosphatase 5 and SET-binding factor 1, is integral to several critical cellular functions. It regulates the MTMR2 phosphatase's activity and positioning within the cell, acts as a guanine nucleotide exchange factor for RAB28, and plays a role in myoblast differentiation and fibroblast transformation.

THERAPEUTIC SIGNIFICANCE:
Myotubularin-related protein 5's association with Charcot-Marie-Tooth disease 4B3, a genetic neuropathy, highlights its significance in medical research. Exploring its function offers promising avenues for developing targeted therapies for this and potentially other related disorders.

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