Focused On-demand Library for Rho GDP-dissociation inhibitor 1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop focused 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

P52565

UPID:

GDIR1_HUMAN

Alternative names:

Rho-GDI alpha

Alternative UPACC:

P52565; A8MXW0; B2R5X1; B4DDD3; B4DUV9; Q6IBM5

Background:

Rho GDP-dissociation inhibitor 1, also known as Rho-GDI alpha, plays a pivotal role in the regulation of Rho proteins homeostasis. It controls the GDP/GTP exchange reaction, inhibiting GDP dissociation from Rho proteins such as CDC42, RAC1, and RHOA, thus maintaining them in an inactive state. This protein is crucial for the recycling and distribution of activated Rho GTPases, mediating the extraction from membranes due to its high affinity for prenylated forms.

Therapeutic significance:

Rho GDP-dissociation inhibitor 1 is directly linked to Nephrotic syndrome 8, a renal disease marked by severe proteinuria and renal failure. Understanding the role of Rho GDP-dissociation inhibitor 1 could open doors to potential therapeutic strategies for this condition, highlighting its importance in disease modulation and potential drug target identification.