Focused On-demand Library for Ras-related protein Rab-27A

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

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.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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

P51159

UPID:

RB27A_HUMAN

Alternative names:

GTP-binding protein Ram

Alternative UPACC:

P51159; O00195; Q6FI40; Q9UIR9; Q9Y5U3

Background:

Ras-related protein Rab-27A, also known as GTP-binding protein Ram, plays a pivotal role in cellular processes. It oscillates between active GTP-bound and inactive GDP-bound states, influencing the late endocytic pathway, including endosomal positioning, maturation, and secretion. Additionally, it is crucial for cytotoxic granule exocytosis in lymphocytes, essential for granule maturation and docking at the immunologic synapse.

Therapeutic significance:

Rab-27A's involvement in Griscelli syndrome 2, a rare autosomal recessive disorder characterized by pigmentary dilution, hair shaft pigment clumps, and potentially fatal hemophagocytic syndrome, underscores its therapeutic significance. Targeting Rab-27A could offer novel treatment avenues for managing this syndrome and its associated neurological impairments.