AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Ras-related protein Rab-10

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 employ our advanced, specialised process to create targeted libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

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

P61026

UPID:

RAB10_HUMAN

Alternative names:

-

Alternative UPACC:

P61026; D6W538; O88386; Q6IA52; Q9D7X6; Q9H0T3

Background:

Ras-related protein Rab-10 plays a pivotal role in intracellular membrane trafficking, influencing everything from vesicle formation to their fusion with membranes. It toggles between active and inactive states, recruiting various effectors for vesicle movement and fusion. Rab-10 is crucial for protein transport from the Golgi to the plasma membrane, impacting glucose transporter delivery and innate immune responses through TLR4 transport. It also contributes to axonogenesis in neurons, basolateral transport in epithelial cells, and ciliogenesis regulation alongside LRRK2 and RILPL1.

Therapeutic significance:

Understanding the role of Ras-related protein Rab-10 could open doors to potential therapeutic strategies.

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