Focused On-demand Library for Protein CBFA2T1

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 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.

We utilise our cutting-edge, exclusive workflow to develop focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

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

Reaxense

upacc

Q06455

UPID:

MTG8_HUMAN

Alternative names:

Cyclin-D-related protein; Eight twenty one protein; Protein ETO; Protein MTG8; Zinc finger MYND domain-containing protein 2

Alternative UPACC:

Q06455; B7Z4P4; E7EPN4; O14784; Q06456; Q14873; Q16239; Q16346; Q16347; Q6IBL1; Q6NXH1; Q7Z4J5; Q92479; Q9BRZ0

Background:

Protein CBFA2T1, also known as Protein ETO and Zinc finger MYND domain-containing protein 2, plays a crucial role in transcriptional repression. It associates with DNA-binding transcription factors, recruiting corepressors and histone-modifying enzymes to facilitate transcriptional repression. Notably, it can repress MMP7 expression in a ZBTB33-dependent manner and mediate transactivation repression by TCF12. Additionally, it acts as a negative regulator of adipogenesis and is implicated in leukemogenesis through the AML1-MTG8/ETO fusion protein, affecting hematopoietic stem/progenitor cell self-renewal.

Therapeutic significance:

Understanding the role of Protein CBFA2T1 could open doors to potential therapeutic strategies, particularly in targeting its function in transcriptional repression and its involvement in leukemogenesis.