AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Myotubularin-related protein 5

Available from Reaxense
Predicted by Alphafold

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

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.

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

Reaxense

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:

Myotubularin-related protein 5, also known as Inactive phosphatidylinositol 3-phosphatase 5 and SET-binding factor 1, plays a pivotal role in cellular processes. It acts as an adapter for the phosphatase MTMR2, regulating its catalytic activity and subcellular location. Additionally, it may function as a guanine nucleotide exchange factor (GEF) for RAB28, promoting the conversion of GDP to GTP. This protein also influences myoblast differentiation and oncogenic transformation in fibroblasts.

Therapeutic significance:

Linked to Charcot-Marie-Tooth disease 4B3, a recessive demyelinating disorder, Myotubularin-related protein 5's involvement in this peripheral nervous system disease underscores its therapeutic potential. Understanding its role could open doors to novel therapeutic strategies for managing and potentially treating this condition.

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