Focused On-demand Library for Ras-related protein Rab-11B

Focused On-demand Libraries - Reaxense 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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

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 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.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q15907

UPID:

RB11B_HUMAN

Alternative names:

GTP-binding protein YPT3

Alternative UPACC:

Q15907; A5YM50; B2R7I4; B4DMK0; D6W671; Q2YDT2; Q5U0I1; Q6FHR0; Q6FI42; Q8NI07

Background:

Ras-related protein Rab-11B, also known as GTP-binding protein YPT3, is a pivotal regulator of intracellular membrane trafficking. It orchestrates the formation and fusion of transport vesicles with membranes through cycling between inactive GDP-bound and active GTP-bound forms. Rab-11B's role extends to endocytic recycling, influencing the apical recycling of key transmembrane proteins and regulating secretion processes, including insulin granule exocytosis. It is also essential for melanosome transport in melanocytes and V-ATPase transport under extracellular acidosis.

Therapeutic significance:

Rab-11B's dysfunction is linked to a neurodevelopmental disorder characterized by ataxic gait, absent speech, and reduced cortical white matter. Understanding the role of Ras-related protein Rab-11B could open doors to potential therapeutic strategies for this disorder and possibly other related neurological conditions.