Focused On-demand Library for Ras-related protein Rab-43

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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 employ our advanced, specialised process to create targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive 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

Q86YS6

UPID:

RAB43_HUMAN

Alternative names:

Ras-related protein Rab-41

Alternative UPACC:

Q86YS6; A8K4P9; E9PBQ0

Background:

Ras-related protein Rab-43, also known as Rab-41, plays a pivotal role in intracellular membrane trafficking. It regulates the formation, movement, tethering, and fusion of transport vesicles with membranes. Rab-43 transitions between an inactive GDP-bound form and an active GTP-bound form, recruiting various effectors for vesicle dynamics. It is crucial for retrograde transport from the endocytic pathway to the Golgi apparatus, the transport of Shiga toxin, maintaining the Golgi complex's structural integrity, and phagosome maturation against pathogens like S.aureus and M.tuberculosis.

Therapeutic significance:

Understanding the role of Ras-related protein Rab-43 could open doors to potential therapeutic strategies.