Focused On-demand Library for Transcription factor ETV6

Focused On-demand Libraries - Reaxense 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.

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

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse 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

Reaxense

upacc

P41212

UPID:

ETV6_HUMAN

Alternative names:

ETS translocation variant 6; ETS-related protein Tel1

Alternative UPACC:

P41212; A3QVP6; A8K076; Q9UMF6; Q9UMF7; Q9UMG0

Background:

Transcription factor ETV6, known as ETS translocation variant 6 or ETS-related protein Tel1, plays a pivotal role in hematopoiesis and has been implicated in malignant transformation. This protein functions as a transcriptional repressor, binding to the DNA sequence 5'-CCGGAAGT-3', and is crucial in the regulation of gene expression involved in cell growth and development.

Therapeutic significance:

ETV6 is directly involved in the pathogenesis of several hematologic disorders, including Myeloproliferative disorder chronic with eosinophilia, characterized by malignant eosinophils proliferation, and Acute myelogenous leukemia, a severe form of leukemia marked by maturational arrest of hematopoietic precursors. Additionally, it plays a role in Thrombocytopenia 5, a disorder leading to decreased platelet counts and increased risk of malignancies. Understanding the role of ETV6 could open doors to potential therapeutic strategies targeting these diseases.