Focused On-demand Library for Insulin receptor substrate 1

Focused On-demand Libraries - Receptor.AI 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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.


Our top-notch dedicated system is used to design specialised libraries for protein-protein interfaces.


 

Fig. 1. The screening workflow of Receptor.AI

The approach involves in-depth molecular simulations of the target protein by itself and in complex with its primary partner proteins, paired with ensemble virtual screening that factors in conformational mobility in both the unbound and complex states. The tentative binding pockets are identified at the protein-protein interaction interface and in distant allosteric areas, aiming to capture the full range of mechanisms of action.


Our library distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
P35568

UPID:
IRS1_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
P35568

BACKGROUND:
The Insulin receptor substrate 1 is a cornerstone in the insulin signaling pathway, facilitating the control of various cellular processes. Upon phosphorylation by the insulin receptor, it specifically binds to proteins with SH2 domains, triggering the activation of phosphatidylinositol 3-kinase. This process is crucial for the regulation of glucose homeostasis and cellular growth.

THERAPEUTIC SIGNIFICANCE:
Insulin receptor substrate 1's involvement in Type 2 diabetes mellitus underscores its therapeutic potential. The disease, marked by impaired glucose homeostasis and insulin resistance, highlights the need for interventions targeting this protein. Exploring its function and regulatory mechanisms could unveil new therapeutic strategies for managing and potentially reversing Type 2 diabetes.

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