Focused On-demand Library for RAS guanyl-releasing protein 1

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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We use our state-of-the-art dedicated workflow for designing focused 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.

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

O95267

UPID:

GRP1_HUMAN

Alternative names:

Calcium and DAG-regulated guanine nucleotide exchange factor II; Ras guanyl-releasing protein

Alternative UPACC:

O95267; Q56CZ0; Q58G75; Q59HB1; Q5I3A8; Q6GV31; Q6NX39; Q7LDG6; Q9UI94; Q9UNN9

Background:

RAS guanyl-releasing protein 1, also known as Calcium and DAG-regulated guanine nucleotide exchange factor II, plays a pivotal role in cellular signaling. It activates Ras by facilitating the exchange of GDP for GTP, triggering the Erk/MAP kinase cascade. This protein is crucial for T-cell/B-cell development, homeostasis, and differentiation, linking antigen receptors to Ras. It also influences NK cell cytotoxicity and cytokine production through ERK and JNK pathways, and is involved in mast cell degranulation.

Therapeutic significance:

RAS guanyl-releasing protein 1 is implicated in systemic lupus erythematosus and immunodeficiency 64 with lymphoproliferation. Variants affecting this gene can lead to autoimmune system failures and increased susceptibility to infections. Understanding its role could pave the way for novel therapeutic strategies targeting these diseases.