Focused On-demand Library for Rho guanine nucleotide exchange factor TIAM1

Focused On-demand Libraries - Receptor.AI 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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


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 for protein-protein interfaces.


 

Fig. 1. The screening workflow of Receptor.AI

This process entails comprehensive molecular simulations of the target protein, individually and in complex with essential partner proteins, along with ensemble virtual screening that focuses on conformational mobility in both its free and complex states. Potential binding pockets are considered at the protein-protein interaction interface and in remote allosteric locations to address every conceivable mechanism of action.


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
Q13009

UPID:
TIAM1_HUMAN

ALTERNATIVE NAMES:
T-lymphoma invasion and metastasis-inducing protein 1

ALTERNATIVE UPACC:
Q13009; B7ZLR6; F5GZ53; Q17RT7

BACKGROUND:
The protein TIAM1, known for its alternative name T-lymphoma invasion and metastasis-inducing protein 1, is crucial in connecting extracellular signals to cytoskeletal activities. It activates signaling pathways through RAC1, CDC42, and RHOA, influencing cell adhesion and migration.

THERAPEUTIC SIGNIFICANCE:
Given TIAM1's association with neurodevelopmental disorder characterized by developmental delay, seizures, and intellectual disability, exploring its function offers promising avenues for developing targeted therapies for these conditions.

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