Focused On-demand Libraries - Receptor.AI 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 Reaxense.


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.


 

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.


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
P41212

UPID:
ETV6_HUMAN

ALTERNATIVE NAMES:
ETS translocation variant 6; ETS-related protein Tel1

ALTERNATIVE UPACC:
P41212; A3QVP6; A8K076; Q9UMF6; Q9UMF7; Q9UMG0

BACKGROUND:
The transcription factor ETV6, alternatively named ETS translocation variant 6 or ETS-related protein Tel1, is integral to blood cell development and has been linked to cancerous transformations. It acts by repressing transcription, specifically binding to a DNA sequence crucial for gene regulation. This regulatory activity is essential for proper cell proliferation and differentiation.

THERAPEUTIC SIGNIFICANCE:
Involvement of ETV6 in diseases such as Myeloproliferative disorder chronic with eosinophilia, Acute myelogenous leukemia, and Thrombocytopenia 5 underscores its therapeutic significance. These conditions, ranging from abnormal blood cell proliferation to reduced platelet counts, highlight the protein's potential as a target for innovative treatments. The exploration of ETV6's function and mechanisms offers promising avenues for developing new therapeutic interventions.

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