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

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

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

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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

Q7L523

UPID:

RRAGA_HUMAN

Alternative names:

Adenovirus E3 14.7 kDa-interacting protein 1; FIP-1

Alternative UPACC:

Q7L523; B2R7L1; O00290; Q15347

Background:

Ras-related GTP-binding protein A, also known as Adenovirus E3 14.7 kDa-interacting protein 1 or FIP-1, is a pivotal player in the cellular response to amino acid availability, influencing the mTORC1 signaling cascade. It forms heterodimeric Rag complexes, cycling between GDP-bound and GTP-bound forms, thereby regulating mTORC1's relocalization to lysosomes and activation. Additionally, it contributes to the RCC1/Ran-GTPase pathway and may play a role in TNF-alpha signaling pathways, impacting cell death.

Therapeutic significance:

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