Focused On-demand Library for Ras-related protein Rab-17

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.

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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our top-notch dedicated system is used to design specialised 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.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q9H0T7

UPID:

RAB17_HUMAN

Alternative names:

Alternative UPACC:

Q9H0T7; Q53QV6; Q6IA73; Q6PJZ0; Q9BVU1; Q9H9U9

Background:

Ras-related protein Rab-17 plays a pivotal role in intracellular membrane trafficking, influencing vesicle formation, movement, and fusion. It orchestrates the transcytosis process, facilitating the transport of immunoglobulins across epithelial cells. Additionally, Rab-17 is crucial for melanosome transport in melanocytes and impacts dendrite and spine development, potentially affecting neuronal connectivity.

Therapeutic significance:

Understanding the role of Ras-related protein Rab-17 could open doors to potential therapeutic strategies. Its involvement in critical cellular processes suggests that modulating its activity could offer new avenues for treating diseases related to membrane trafficking and cellular transport mechanisms.