Focused On-demand Libraries - Receptor.AI 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.


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


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


Our high-tech, dedicated method is applied to construct targeted libraries.


 

Fig. 1. The screening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.


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
Receptor.AI
 
UPACC
P52565

UPID:
GDIR1_HUMAN

ALTERNATIVE NAMES:
Rho-GDI alpha

ALTERNATIVE UPACC:
P52565; A8MXW0; B2R5X1; B4DDD3; B4DUV9; Q6IBM5

BACKGROUND:
The protein Rho GDP-dissociation inhibitor 1, known alternatively as Rho-GDI alpha, is integral in regulating the activity of Rho proteins. It ensures Rho proteins like CDC42, RAC1, and RHOA remain in an inactive cytosolic pool, thereby regulating their stability and protecting them from degradation. Its role extends to the modulation of cell motility through the inactivation of RAC1 in response to signals from SEMA5A and PLXNB3, particularly in glioma cells where it inhibits migration and invasion.

THERAPEUTIC SIGNIFICANCE:
Linked to the development of Nephrotic syndrome 8, Rho GDP-dissociation inhibitor 1's involvement in this renal disease underscores its therapeutic potential. By elucidating the mechanisms through which this protein influences disease progression, researchers can pave the way for innovative treatments, making it a prime candidate for drug discovery efforts.

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