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.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by Reaxense.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


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


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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
Receptor.AI
 
UPACC
P01116

UPID:
RASK_HUMAN

ALTERNATIVE NAMES:
K-Ras 2; Ki-Ras; c-K-ras; c-Ki-ras

ALTERNATIVE UPACC:
P01116; A8K8Z5; B0LPF9; P01118; Q96D10

BACKGROUND:
The GTPase KRas protein, with aliases such as K-Ras 2 and Ki-Ras, is crucial for cell proliferation and oncogenesis, particularly in colorectal cancer through ZNF304-dependent transcriptional silencing of tumor suppressor genes.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of GTPase KRas could open doors to potential therapeutic strategies for diseases like acute myelogenous leukemia, juvenile myelomonocytic leukemia, and gastric cancer, among others, offering hope for innovative treatments.

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