Focused On-demand Library for Ras-related GTP-binding protein C

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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

Q9HB90

UPID:

RRAGC_HUMAN

Alternative names:

GTPase-interacting protein 2; TIB929

Alternative UPACC:

Q9HB90; Q9H202; Q9H8Q8

Background:

Ras-related GTP-binding protein C, also known as GTPase-interacting protein 2 or TIB929, is a pivotal guanine nucleotide-binding protein. It orchestrates the cellular response to amino acid availability, significantly influencing the mTORC1 signaling cascade. This protein forms heterodimeric Rag complexes, cycling between inactive GTP-bound and active GDP-bound forms, crucial for mTORC1 recruitment and activation at the lysosomes.

Therapeutic significance:

Understanding the role of Ras-related GTP-binding protein C could open doors to potential therapeutic strategies.