Focused On-demand Library for Target of Myb1 membrane trafficking protein

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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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.

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across 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

Reaxense

upacc

O60784

UPID:

TOM1_HUMAN

Alternative names:

Target of Myb protein 1

Alternative UPACC:

O60784; B4DEL9; B4DNA1; Q5TIJ6; Q86X74

Background:

Target of Myb1 membrane trafficking protein, also known as Target of Myb protein 1, plays a pivotal role in intracellular membrane trafficking. It is involved in autophagy, ubiquitination-dependent signaling, and receptor recycling. This protein acts as an adapter for MYO6/Myosin VI, facilitating autophagosomal delivery of endocytic cargo and their fusion with lysosomes. It binds to polyubiquitinated proteins and regulates endosomal trafficking and maturation.

Therapeutic significance:

Immunodeficiency 85, an autosomal dominant disorder characterized by autoimmunity and immunodeficiency features, is associated with variants affecting this protein. Understanding the role of Target of Myb1 membrane trafficking protein could open doors to potential therapeutic strategies for treating this complex immunologic disorder.