Focused On-demand Library for Transcriptional regulator ATRX

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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

Fig. 1. The sreening 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

Reaxense

upacc

P46100

UPID:

ATRX_HUMAN

Alternative names:

ATP-dependent helicase ATRX; X-linked helicase II; X-linked nuclear protein; Znf-HX

Alternative UPACC:

P46100; D3DTE2; P51068; Q15886; Q59FB5; Q59H31; Q5H9A2; Q5JWI4; Q7Z2J1; Q9H0Z1; Q9NTS3

Background:

The Transcriptional Regulator ATRX, known for its roles in transcriptional regulation and chromatin remodeling, is pivotal in DNA replication and genomic stability. It binds to DNA tandem repeat sequences, facilitating the incorporation of histone H3.3 and remodeling G4 DNA. As a catalytic component of the ATRX:DAXX chromatin remodeling complex, ATRX is essential for the deposition of histone H3.3 in pericentric DNA repeats and telomeres, contributing to telomere integrity and genomic fidelity.

Therapeutic significance:

ATRX mutations are linked to severe disorders like Alpha-thalassemia/impaired intellectual development syndrome, X-linked, and Intellectual disability-hypotonic facies syndrome, X-linked, 1. Understanding the role of ATRX could open doors to potential therapeutic strategies, offering hope for targeted treatments in genetic disorders and cancer, where ATRX function is compromised.