Focused On-demand Library for Ras-related protein Rab-7a

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

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.

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

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

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

P51149

UPID:

RAB7A_HUMAN

Alternative names:

Alternative UPACC:

P51149; A8K3V6; Q9NWJ0; Q9UPB0

Background:

Ras-related protein Rab-7a plays a pivotal role in endo-lysosomal trafficking, influencing various cellular processes including endosomal maturation, migration, and endosome-lysosome transport. Its activity is crucial for nutrient uptake, cell signaling, neurotrophin transport, and lipid metabolism. Rab-7a also contributes to the maturation of specialized endosomal membranes, phagosome acidification, and microbial pathogen survival strategies.

Therapeutic significance:

Given its involvement in Charcot-Marie-Tooth disease, axonal, 2B, understanding the role of Ras-related protein Rab-7a could open doors to potential therapeutic strategies. Its central role in cellular trafficking and pathogen response highlights its potential as a target for therapeutic intervention in peripheral neuropathies and infectious diseases.